N-(3,4-dimethylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(3,4-dimethylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(3,4-dimethylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(3,4-dimethylphenyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(3,4-dimethylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(3,4-dimethylphenyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)C

InChI

InChI=1S/C18H18N4OS/c1-12-3-8-16(9-13(12)2)21-17(23)15-6-4-14(5-7-15)10-24-18-19-11-20-22-18/h3-9,11H,10H2,1-2H3,(H,21,23)(H,19,20,22)