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

Systemtic Name: 2-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-(1-phenylethyl)benzamide Openeye Name: 2-[[2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide CAS Name: 2-[[2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-N-(1-phenylethyl)benzamide IUPAC Name: 2-[[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide Traditional Name: 2-[[2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-N-(1-phenylethyl)benzamide Formula: C27H26N6O2S MolecularWeight: 498.59934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CSC3=NN=C(N3C4CC4)C5=CN=CC=C5

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CSC3=NN=C(N3C4CC4)C5=CN=CC=C5

InChI

InChI=1S/C27H26N6O2S/c1-18(19-8-3-2-4-9-19)29-26(35)22-11-5-6-12-23(22)30-24(34)17-36-27-32-31-25(33(27)21-13-14-21)20-10-7-15-28-16-20/h2-12,15-16,18,21H,13-14,17H2,1H3,(H,29,35)(H,30,34)