3-[4-cyclopropyl-5-[(1S)-1-(3-nitrophenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[4-cyclopropyl-5-[(1S)-1-(3-nitrophenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-cyclopropyl-5-[(1S)-1-(3-nitrophenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-cyclopropyl-5-[[(1S)-1-(3-nitrophenyl)ethyl]thio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-cyclopropyl-5-[(1S)-1-(3-nitrophenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-cyclopropyl-5-[[(1S)-1-(3-nitrophenyl)ethyl]thio]-1,2,4-triazol-3-yl]pyridine Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2C3CC3)C4=CN=CC=C4

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2C3CC3)C4=CN=CC=C4

InChI

InChI=1S/C18H17N5O2S/c1-12(13-4-2-6-16(10-13)23(24)25)26-18-21-20-17(22(18)15-7-8-15)14-5-3-9-19-11-14/h2-6,9-12,15H,7-8H2,1H3/t12-/m0/s1