3-chloranyl-N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide

Systemtic Name: 3-chloranyl-N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide Openeye Name: N-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-3-chloro-benzamide CAS Name: 3-chloro-N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide IUPAC Name: 3-chloro-N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide Traditional Name: N-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-3-chloro-benzamide Formula: C13H13ClN4OS MolecularWeight: 308.78652

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NNC1=S)CNC(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

C=CCN1C(=NNC1=S)CNC(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H13ClN4OS/c1-2-6-18-11(16-17-13(18)20)8-15-12(19)9-4-3-5-10(14)7-9/h2-5,7H,1,6,8H2,(H,15,19)(H,17,20)