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

Systemtic Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)propanamide Openeye Name: 2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)propanamide CAS Name: 2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)propanamide IUPAC Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)propanamide Traditional Name: 2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]-N-(2-nitrophenyl)propionamide Formula: C19H24N6O3S MolecularWeight: 416.49726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=NN=C(N2C3CC3)N4CCCCC4

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=NN=C(N2C3CC3)N4CCCCC4

InChI

InChI=1S/C19H24N6O3S/c1-13(17(26)20-15-7-3-4-8-16(15)25(27)28)29-19-22-21-18(24(19)14-9-10-14)23-11-5-2-6-12-23/h3-4,7-8,13-14H,2,5-6,9-12H2,1H3,(H,20,26)