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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C(=O)NCCC4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C(=O)NCCC4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C27H26N6O2S/c34-24(18-36-27-32-31-25(33(27)21-12-13-21)20-9-6-15-28-17-20)30-23-11-5-4-10-22(23)26(35)29-16-14-19-7-2-1-3-8-19/h1-11,15,17,21H,12-14,16,18H2,(H,29,35)(H,30,34)