N-(4-chloranyl-3-methyl-phenyl)-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide

Systemtic Name: N-(4-chloranyl-3-methyl-phenyl)-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Openeye Name: N-(4-chloro-3-methyl-phenyl)-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide CAS Name: N-(4-chloro-3-methylphenyl)-4-[[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]benzamide IUPAC Name: N-(4-chloro-3-methylphenyl)-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Traditional Name: N-(4-chloro-3-methyl-phenyl)-4-[[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]benzamide Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(N3C4CC4)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(N3C4CC4)C)Cl

InChI

InChI=1S/C21H21ClN4OS/c1-13-11-17(7-10-19(13)22)23-20(27)16-5-3-15(4-6-16)12-28-21-25-24-14(2)26(21)18-8-9-18/h3-7,10-11,18H,8-9,12H2,1-2H3,(H,23,27)