N-(1,3-diethyl-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-diethyl-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-diethyl-2-oxo-benzimidazol-5-yl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1,3-diethyl-2-oxo-5-benzimidazolyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1,3-diethyl-2-keto-benzimidazol-5-yl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H23N7O2S MolecularWeight: 437.51802

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NN=C(N3C)C4=CC=NC=C4)N(C1=O)CC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NN=C(N3C)C4=CC=NC=C4)N(C1=O)CC

InChI

InChI=1S/C21H23N7O2S/c1-4-27-16-7-6-15(12-17(16)28(5-2)21(27)30)23-18(29)13-31-20-25-24-19(26(20)3)14-8-10-22-11-9-14/h6-12H,4-5,13H2,1-3H3,(H,23,29)