4-methyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-methyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-methyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C14H15N7O2S MolecularWeight: 345.3796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCN2C(=S)N(C(=N2)C3=CC=NC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCN2C(=S)N(C(=N2)C3=CC=NC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C14H15N7O2S/c1-10-16-9-12(21(22)23)19(10)7-8-20-14(24)18(2)13(17-20)11-3-5-15-6-4-11/h3-6,9H,7-8H2,1-2H3