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

Systemtic Name: 4-(4-methoxyphenyl)-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-(4-methoxyphenyl)-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(4-methoxyphenyl)-2-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-(4-methoxyphenyl)-2-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-(4-methoxyphenyl)-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C20H19N7O3S MolecularWeight: 437.47496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H19N7O3S/c1-14-22-13-18(27(28)29)24(14)11-12-25-20(31)26(16-3-5-17(30-2)6-4-16)19(23-25)15-7-9-21-10-8-15/h3-10,13H,11-12H2,1-2H3