N-(3-methyl-4-propan-2-yl-phenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(3-methyl-4-propan-2-yl-phenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(4-isopropyl-3-methyl-phenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(3-methyl-4-propan-2-ylphenyl)-3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(3-methyl-4-propan-2-ylphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(4-isopropyl-3-methyl-phenyl)-3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4OS/c1-13(2)18-8-7-17(9-14(18)3)23-19(25)16-6-4-5-15(10-16)11-26-20-21-12-22-24-20/h4-10,12-13H,11H2,1-3H3,(H,23,25)(H,21,22,24)