N-(1,3-dimethyl-6-nitro-2-oxidanylidene-benzimidazol-5-yl)-2-[(4-prop-2-enyl-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-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-dimethyl-6-nitro-2-oxo-benzimidazol-5-yl)acetamide CAS Name: N-(1,3-dimethyl-6-nitro-2-oxo-5-benzimidazolyl)-2-[(4-prop-2-enyl-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-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-keto-1,3-dimethyl-6-nitro-benzimidazol-5-yl)acetamide Formula: C21H20N8O4S MolecularWeight: 480.4997

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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(N3CC=C)C4=CC=NC=C4

Isomeric SMILES

CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])NC(=O)CSC3=NN=C(N3CC=C)C4=CC=NC=C4

InChI

InChI=1S/C21H20N8O4S/c1-4-9-28-19(13-5-7-22-8-6-13)24-25-20(28)34-12-18(30)23-14-10-16-17(11-15(14)29(32)33)27(3)21(31)26(16)2/h4-8,10-11H,1,9,12H2,2-3H3,(H,23,30)