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

Systemtic Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-phenyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-phenyl-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-4-phenyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-4-phenyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-phenyl-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C19H17N7O2S MolecularWeight: 407.44898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N7O2S/c1-14-21-13-17(26(27)28)23(14)10-11-24-19(29)25(16-7-3-2-4-8-16)18(22-24)15-6-5-9-20-12-15/h2-9,12-13H,10-11H2,1H3