9AI
Summary
Name: | N-prop-2-en-1-ylthioformamide |
Formula: | C4 H7 N S |
Formal charge: | 0 |
Formula weight: | 101.17 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | N-prop-2-en-1-ylthioformamide |
OpenEye OEToolkits | 1.7.6 | N-prop-2-enylmethanethioamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | S=CNC\C=C |
InChI | InChI | 1.03 | InChI=1S/C4H7NS/c1-2-3-5-4-6/h2,4H,1,3H2,(H,5,6) |
InChIKey | InChI | 1.03 | PDIXEKZHQJNVMI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C=CCNC=S |
SMILES | CACTVS | 3.385 | C=CCNC=S |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C=CCNC=S |
SMILES | OpenEye OEToolkits | 1.7.6 | C=CCNC=S |