5-methyl-6-(2-thiophen-3-yl-3H-benzimidazol-5-yl)-1,2-diazinan-3-one hydrochloride

Systemtic Name: 5-methyl-6-(2-thiophen-3-yl-3H-benzimidazol-5-yl)-1,2-diazinan-3-one hydrochloride Openeye Name: 5-methyl-6-[2-(3-thienyl)-3H-benzimidazol-5-yl]hexahydropyridazin-3-one hydrochloride CAS Name: 5-methyl-6-[2-(3-thiophenyl)-3H-benzimidazol-5-yl]-3-diazinanone hydrochloride IUPAC Name: 5-methyl-6-(2-thiophen-3-yl-3H-benzimidazol-5-yl)diazinan-3-one hydrochloride Traditional Name: 5-methyl-6-[2-(3-thienyl)-3H-benzimidazol-5-yl]hexahydropyridazin-3-one hydrochloride Formula: C16H17ClN4OS MolecularWeight: 348.85038

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NNC1C2=CC3=C(C=C2)N=C(N3)C4=CSC=C4.Cl

Isomeric SMILES

CC1CC(=O)NNC1C2=CC3=C(C=C2)N=C(N3)C4=CSC=C4.Cl

InChI

InChI=1S/C16H16N4OS.ClH/c1-9-6-14(21)19-20-15(9)10-2-3-12-13(7-10)18-16(17-12)11-4-5-22-8-11;/h2-5,7-9,15,20H,6H2,1H3,(H,17,18)(H,19,21);1H