1-[4-cyclopropyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazol-3-yl]piperidine

Systemtic Name: 1-[4-cyclopropyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazol-3-yl]piperidine Openeye Name: 1-[4-cyclopropyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazol-3-yl]piperidine CAS Name: 1-[4-cyclopropyl-5-[1-(3-nitrophenyl)ethylthio]-1,2,4-triazol-3-yl]piperidine IUPAC Name: 1-[4-cyclopropyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazol-3-yl]piperidine Traditional Name: 1-[4-cyclopropyl-5-[1-(3-nitrophenyl)ethylthio]-1,2,4-triazol-3-yl]piperidine Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O2S/c1-13(14-6-5-7-16(12-14)23(24)25)26-18-20-19-17(22(18)15-8-9-15)21-10-3-2-4-11-21/h5-7,12-13,15H,2-4,8-11H2,1H3