N-(1,3-dimethyl-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-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-2-oxo-benzimidazol-5-yl)acetamide CAS Name: N-(1,3-dimethyl-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-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-benzimidazol-5-yl)acetamide Formula: C21H21N7O2S MolecularWeight: 435.50214

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)CSC3=NN=C(N3CC=C)C4=CC=NC=C4)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)CSC3=NN=C(N3CC=C)C4=CC=NC=C4)N(C1=O)C

InChI

InChI=1S/C21H21N7O2S/c1-4-11-28-19(14-7-9-22-10-8-14)24-25-20(28)31-13-18(29)23-15-5-6-16-17(12-15)27(3)21(30)26(16)2/h4-10,12H,1,11,13H2,2-3H3,(H,23,29)