4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile

Systemtic Name: 4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile Openeye Name: 4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxo-2-(4-phenylthiazol-2-yl)butanenitrile CAS Name: 4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxo-2-(4-phenyl-2-thiazolyl)butanenitrile IUPAC Name: 4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile Traditional Name: 4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-keto-2-(4-phenylthiazol-2-yl)butyronitrile Formula: C24H23FN4O3S2 MolecularWeight: 498.592823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC(=O)C(C#N)C3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC(=O)C(C#N)C3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C24H23FN4O3S2/c25-19-7-9-20(10-8-19)34(31,32)29-12-4-11-28(13-14-29)16-23(30)21(15-26)24-27-22(17-33-24)18-5-2-1-3-6-18/h1-3,5-10,17,21H,4,11-14,16H2