3-[(4-thieno[3,2-b]thiophen-5-ylcarbonyl-1,4-diazepan-1-yl)methyl]benzenecarbonitrile hydrochloride

Systemtic Name: 3-[(4-thieno[3,2-b]thiophen-5-ylcarbonyl-1,4-diazepan-1-yl)methyl]benzenecarbonitrile hydrochloride Openeye Name: 3-[[4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile hydrochloride CAS Name: 3-[[4-[oxo(5-thieno[3,2-b]thiophenyl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile hydrochloride IUPAC Name: 3-[[4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile hydrochloride Traditional Name: 3-[[4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile hydrochloride Formula: C20H20ClN3OS2 MolecularWeight: 417.9753

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=C(S2)C=CS3)CC4=CC=CC(=C4)C#N.Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=C(S2)C=CS3)CC4=CC=CC(=C4)C#N.Cl

InChI

InChI=1S/C20H19N3OS2.ClH/c21-13-15-3-1-4-16(11-15)14-22-6-2-7-23(9-8-22)20(24)19-12-18-17(26-19)5-10-25-18;/h1,3-5,10-12H,2,6-9,14H2;1H