2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine

Systemtic Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine Openeye Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine CAS Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-5-nitropyridine IUPAC Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitropyridine Traditional Name: 2-[(4-ethyl-5-veratryl-1,2,4-triazol-3-yl)thio]-5-nitro-pyridine Formula: C18H19N5O4S MolecularWeight: 401.43956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=NC=C(C=C2)[N+](=O)[O-])CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCN1C(=NN=C1SC2=NC=C(C=C2)[N+](=O)[O-])CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C18H19N5O4S/c1-4-22-16(10-12-5-7-14(26-2)15(9-12)27-3)20-21-18(22)28-17-8-6-13(11-19-17)23(24)25/h5-9,11H,4,10H2,1-3H3