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

Systemtic Name: N-cyclopropyl-2-[2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 2-[[2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-cyclopropyl-benzamide CAS Name: N-cyclopropyl-2-[[1-oxo-2-[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]benzamide IUPAC Name: 2-[[2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 2-[[2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-N-cyclopropyl-benzamide Formula: C26H24N6O2S MolecularWeight: 484.57276

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=CC=C2NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1CC1NC(=O)C2=CC=CC=C2NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C26H24N6O2S/c33-23(29-22-11-5-4-10-21(22)25(34)28-20-12-13-20)17-35-26-31-30-24(19-9-6-14-27-15-19)32(26)16-18-7-2-1-3-8-18/h1-11,14-15,20H,12-13,16-17H2,(H,28,34)(H,29,33)