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

Systemtic Name: 1-[4-cyclopropyl-5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]-4-methyl-piperidine Openeye Name: 1-[4-cyclopropyl-5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]-4-methyl-piperidine CAS Name: 1-[4-cyclopropyl-5-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-1,2,4-triazol-3-yl]-4-methylpiperidine IUPAC Name: 1-[4-cyclopropyl-5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]-4-methylpiperidine Traditional Name: 1-[4-cyclopropyl-5-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-1,2,4-triazol-3-yl]-4-methyl-piperidine Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O2S/c1-13-8-10-22(11-9-13)18-20-21-19(23(18)16-6-7-16)27-14(2)15-4-3-5-17(12-15)24(25)26/h3-5,12-14,16H,6-11H2,1-2H3/t14-/m1/s1