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

Systemtic Name: 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-piperidin-1-ylethyl)ethanamide Openeye Name: 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(1-piperidyl)ethyl]acetamide CAS Name: 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-[2-(1-piperidinyl)ethyl]acetamide IUPAC Name: 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-piperidin-1-ylethyl)acetamide Traditional Name: 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-piperidinoethyl)acetamide Formula: C23H26N6O3S MolecularWeight: 466.55594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CCNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H26N6O3S/c30-21(24-13-16-27-14-5-2-6-15-27)17-33-23-26-25-22(28(23)19-7-3-1-4-8-19)18-9-11-20(12-10-18)29(31)32/h1,3-4,7-12H,2,5-6,13-17H2,(H,24,30)