2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-pyridine

Systemtic Name: 2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-pyridine Openeye Name: 2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-pyridine CAS Name: 2-[[4-cyclohexyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-3-nitropyridine IUPAC Name: 2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitropyridine Traditional Name: 2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-3-nitro-pyridine Formula: C17H17N5O3S MolecularWeight: 371.41358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SC3=C(C=CC=N3)[N+](=O)[O-])C4=CC=CO4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SC3=C(C=CC=N3)[N+](=O)[O-])C4=CC=CO4

InChI

InChI=1S/C17H17N5O3S/c23-22(24)13-8-4-10-18-16(13)26-17-20-19-15(14-9-5-11-25-14)21(17)12-6-2-1-3-7-12/h4-5,8-12H,1-3,6-7H2