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

Systemtic Name: N-(4-chloranyl-3-methyl-phenyl)-4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Openeye Name: 4-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-chloro-3-methyl-phenyl)benzamide CAS Name: N-(4-chloro-3-methylphenyl)-4-[[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]benzamide IUPAC Name: N-(4-chloro-3-methylphenyl)-4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Traditional Name: 4-[[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-N-(4-chloro-3-methyl-phenyl)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(N3CC=C)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(N3CC=C)C)Cl

InChI

InChI=1S/C21H21ClN4OS/c1-4-11-26-15(3)24-25-21(26)28-13-16-5-7-17(8-6-16)20(27)23-18-9-10-19(22)14(2)12-18/h4-10,12H,1,11,13H2,2-3H3,(H,23,27)