3-[[4-(1,3-thiazol-4-ylcarbonyl)-1,4-diazepan-1-yl]sulfonyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(1,3-thiazol-4-ylcarbonyl)-1,4-diazepan-1-yl]sulfonyl]benzenecarbonitrile Openeye Name: 3-[[4-(thiazole-4-carbonyl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile CAS Name: 3-[[4-[oxo(4-thiazolyl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzonitrile IUPAC Name: 3-[[4-(1,3-thiazole-4-carbonyl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile Traditional Name: 3-[[4-(thiazole-4-carbonyl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile Formula: C16H16N4O3S2 MolecularWeight: 376.45324

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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=CSC=N3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C#N)C(=O)C3=CSC=N3

InChI

InChI=1S/C16H16N4O3S2/c17-10-13-3-1-4-14(9-13)25(22,23)20-6-2-5-19(7-8-20)16(21)15-11-24-12-18-15/h1,3-4,9,11-12H,2,5-8H2