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

Systemtic Name: N-cyclopropyl-3-[2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 3-[[2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-cyclopropyl-benzamide CAS Name: N-cyclopropyl-3-[[1-oxo-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]benzamide IUPAC Name: 3-[[2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 3-[[2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-cyclopropyl-benzamide Formula: C27H25N5O2S MolecularWeight: 483.5847

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H25N5O2S/c33-25(28-22-11-7-10-20(17-22)26(34)29-21-14-15-21)18-35-27-31-30-24(16-19-8-3-1-4-9-19)32(27)23-12-5-2-6-13-23/h1-13,17,21H,14-16,18H2,(H,28,33)(H,29,34)