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

Systemtic Name: N-(2-nitrophenyl)-3-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2-nitrophenyl)-3-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-nitrophenyl)-3-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-nitrophenyl)-3-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-nitrophenyl)-3-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]propionamide Formula: C22H24N6O3S MolecularWeight: 452.52936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O3S/c29-20(23-18-11-5-6-12-19(18)28(30)31)13-16-32-22-25-24-21(26-14-7-2-8-15-26)27(22)17-9-3-1-4-10-17/h1,3-6,9-12H,2,7-8,13-16H2,(H,23,29)