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

Systemtic Name: 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylbutan-2-yl)butanamide Openeye Name: N-(1-methyl-3-phenyl-propyl)-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-phenylbutan-2-yl)butanamide IUPAC Name: 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylbutan-2-yl)butanamide Traditional Name: N-(1-methyl-3-phenyl-propyl)-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butyramide Formula: C28H29N5O3S MolecularWeight: 515.62656

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H29N5O3S/c1-21(14-15-22-9-4-2-5-10-22)29-26(34)13-8-20-37-28-31-30-27(32(28)24-11-6-3-7-12-24)23-16-18-25(19-17-23)33(35)36/h2-7,9-12,16-19,21H,8,13-15,20H2,1H3,(H,29,34)