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

Systemtic Name: 1-[4-cyclopropyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-4-methyl-piperidine Openeye Name: 1-[4-cyclopropyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-4-methyl-piperidine CAS Name: 1-[4-cyclopropyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]-4-methylpiperidine IUPAC Name: 1-[4-cyclopropyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-4-methylpiperidine Traditional Name: 1-[4-cyclopropyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]-4-methyl-piperidine Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NN=C(N2C3CC3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=NN=C(N2C3CC3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O2S/c1-13-8-10-21(11-9-13)17-19-20-18(22(17)15-6-7-15)26-12-14-2-4-16(5-3-14)23(24)25/h2-5,13,15H,6-12H2,1H3