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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]pentanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Traditional Name: N-homoveratryl-N-methyl-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]valeramide Formula: C30H33N5O5S MolecularWeight: 575.67852

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C30H33N5O5S/c1-33(19-18-22-12-17-26(39-2)27(21-22)40-3)28(36)11-7-8-20-41-30-32-31-29(34(30)24-9-5-4-6-10-24)23-13-15-25(16-14-23)35(37)38/h4-6,9-10,12-17,21H,7-8,11,18-20H2,1-3H3