N-(4-chloranyl-3-methyl-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide

Systemtic Name: N-(4-chloranyl-3-methyl-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Openeye Name: N-(4-chloro-3-methyl-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide CAS Name: N-(4-chloro-3-methylphenyl)-4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzamide IUPAC Name: N-(4-chloro-3-methylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Traditional Name: N-(4-chloro-3-methyl-phenyl)-4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzamide Formula: C18H17ClN4OS MolecularWeight: 372.87178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=CN3C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=CN3C)Cl

InChI

InChI=1S/C18H17ClN4OS/c1-12-9-15(7-8-16(12)19)21-17(24)14-5-3-13(4-6-14)10-25-18-22-20-11-23(18)2/h3-9,11H,10H2,1-2H3,(H,21,24)