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

Systemtic Name: 2-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine Openeye Name: 2-[[4-(3,4-dichlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine CAS Name: 2-[[4-(3,4-dichlorophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-5-nitropyridine IUPAC Name: 2-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-5-nitropyridine Traditional Name: 2-[[4-(3,4-dichlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-5-nitro-pyridine Formula: C18H10Cl2N6O2S MolecularWeight: 445.282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)SC4=NC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)C2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)SC4=NC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H10Cl2N6O2S/c19-14-5-3-12(8-15(14)20)25-17(11-2-1-7-21-9-11)23-24-18(25)29-16-6-4-13(10-22-16)26(27)28/h1-10H