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

Systemtic Name: 3,4-bis(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]-3,4-dichloro-benzamide CAS Name: 3,4-dichloro-N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide IUPAC Name: 3,4-dichloro-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]-3,4-dichloro-benzamide Formula: C13H12Cl2N4OS MolecularWeight: 343.23158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12Cl2N4OS/c1-2-5-19-11(17-18-13(19)21)7-16-12(20)8-3-4-9(14)10(15)6-8/h2-4,6H,1,5,7H2,(H,16,20)(H,18,21)