N-(6-bromanyl-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(6-bromanyl-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(6-bromo-2-keto-1,3-dihydrobenzimidazol-5-yl)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H16BrN7O2S MolecularWeight: 486.34504

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NC3=C(C=C4C(=C3)NC(=O)N4)Br)C5=CN=CC=C5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NC3=C(C=C4C(=C3)NC(=O)N4)Br)C5=CN=CC=C5

InChI

InChI=1S/C19H16BrN7O2S/c20-12-6-14-15(24-18(29)23-14)7-13(12)22-16(28)9-30-19-26-25-17(27(19)11-3-4-11)10-2-1-5-21-8-10/h1-2,5-8,11H,3-4,9H2,(H,22,28)(H2,23,24,29)