2-[2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-N-(3-methylphenyl)benzamide

Systemtic Name: 2-[2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-N-(3-methylphenyl)benzamide Openeye Name: 2-[[2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(m-tolyl)benzamide CAS Name: 2-[[2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-N-(3-methylphenyl)benzamide IUPAC Name: 2-[[2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(3-methylphenyl)benzamide Traditional Name: 2-[[2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-(m-tolyl)benzamide Formula: C28H27N5O2S MolecularWeight: 497.61128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5CC5

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5CC5

InChI

InChI=1S/C28H27N5O2S/c1-19-8-7-11-22(16-19)29-27(35)23-12-5-6-13-24(23)30-25(34)18-36-28-32-31-26(21-14-15-21)33(28)17-20-9-3-2-4-10-20/h2-13,16,21H,14-15,17-18H2,1H3,(H,29,35)(H,30,34)