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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4C(=O)NCC5=CC=CC=C5

InChI

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