N-(1,3-dimethyl-6-nitro-2-oxidanylidene-benzimidazol-5-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-dimethyl-6-nitro-2-oxidanylidene-benzimidazol-5-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-dimethyl-6-nitro-2-oxo-benzimidazol-5-yl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1,3-dimethyl-6-nitro-2-oxo-5-benzimidazolyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1,3-dimethyl-6-nitro-2-oxobenzimidazol-5-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-keto-1,3-dimethyl-6-nitro-benzimidazol-5-yl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H18N8O4S MolecularWeight: 454.46242

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])NC(=O)CSC3=NN=C(N3C)C4=CC=NC=C4

Isomeric SMILES

CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])NC(=O)CSC3=NN=C(N3C)C4=CC=NC=C4

InChI

InChI=1S/C19H18N8O4S/c1-24-14-8-12(13(27(30)31)9-15(14)25(2)19(24)29)21-16(28)10-32-18-23-22-17(26(18)3)11-4-6-20-7-5-11/h4-9H,10H2,1-3H3,(H,21,28)