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

Systemtic Name: N-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methyl-phenyl]-3-(methylsulfonylmethyl)benzamide Openeye Name: N-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methyl-phenyl]-3-(methylsulfonylmethyl)benzamide CAS Name: N-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylphenyl]-3-(methylsulfonylmethyl)benzamide IUPAC Name: N-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylphenyl]-3-(methylsulfonylmethyl)benzamide Traditional Name: N-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methyl-phenyl]-3-(mesylmethyl)benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)CS(=O)(=O)C)C3=NNC(=N3)C4CC4

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)CS(=O)(=O)C)C3=NNC(=N3)C4CC4

InChI

InChI=1S/C21H22N4O3S/c1-13-6-9-18(17(10-13)20-23-19(24-25-20)15-7-8-15)22-21(26)16-5-3-4-14(11-16)12-29(2,27)28/h3-6,9-11,15H,7-8,12H2,1-2H3,(H,22,26)(H,23,24,25)