N-[4-(cyanomethyl)phenyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[4-(cyanomethyl)phenyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[4-(cyanomethyl)phenyl]-3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[4-(cyanomethyl)phenyl]-3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C18H15N5OS MolecularWeight: 349.4096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC=NN2)C(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC=NN2)C(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C18H15N5OS/c19-9-8-13-4-6-16(7-5-13)22-17(24)15-3-1-2-14(10-15)11-25-18-20-12-21-23-18/h1-7,10,12H,8,11H2,(H,22,24)(H,20,21,23)