5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)pentanamide

Systemtic Name: 5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)pentanamide Openeye Name: 5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)pentanamide CAS Name: 5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(1-phenylethyl)pentanamide IUPAC Name: 5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)pentanamide Traditional Name: 5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(1-phenylethyl)valeramide Formula: C27H27N5O3S MolecularWeight: 501.59998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H27N5O3S/c1-20(21-10-4-2-5-11-21)28-25(33)14-8-9-19-36-27-30-29-26(31(27)23-12-6-3-7-13-23)22-15-17-24(18-16-22)32(34)35/h2-7,10-13,15-18,20H,8-9,14,19H2,1H3,(H,28,33)