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

Systemtic Name: 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)butanamide Openeye Name: 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)butanamide CAS Name: 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-[2-(1-pyrrolidinyl)ethyl]butanamide IUPAC Name: 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)butanamide Traditional Name: 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-pyrrolidinoethyl)butyramide Formula: C24H28N6O3S MolecularWeight: 480.58252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CCNC(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H28N6O3S/c31-22(25-14-17-28-15-4-5-16-28)9-6-18-34-24-27-26-23(29(24)20-7-2-1-3-8-20)19-10-12-21(13-11-19)30(32)33/h1-3,7-8,10-13H,4-6,9,14-18H2,(H,25,31)