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

Systemtic Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]-N-(3-nitrophenyl)acetamide Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O3S/c25-16(19-13-5-4-6-15(11-13)24(26)27)12-28-18-21-20-17(23(18)14-7-8-14)22-9-2-1-3-10-22/h4-6,11,14H,1-3,7-10,12H2,(H,19,25)