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

Systemtic Name: 3-[(4-thieno[3,2-b]thiophen-5-ylcarbonyl-1,4-diazepan-1-yl)sulfonyl]benzenecarbonitrile Openeye Name: 3-[[4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile CAS Name: 3-[[4-[oxo(5-thieno[3,2-b]thiophenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzonitrile IUPAC Name: 3-[[4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile Traditional Name: 3-[[4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile Formula: C19H17N3O3S3 MolecularWeight: 431.55158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C#N)C(=O)C3=CC4=C(S3)C=CS4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C#N)C(=O)C3=CC4=C(S3)C=CS4

InChI

InChI=1S/C19H17N3O3S3/c20-13-14-3-1-4-15(11-14)28(24,25)22-7-2-6-21(8-9-22)19(23)18-12-17-16(27-18)5-10-26-17/h1,3-5,10-12H,2,6-9H2