3-[2-oxidanylidene-8-(2-phenylethynyl)-7-thiomorpholin-4-yl-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[2-oxidanylidene-8-(2-phenylethynyl)-7-thiomorpholin-4-yl-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[2-oxo-8-(2-phenylethynyl)-7-thiomorpholino-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[2-oxo-8-(2-phenylethynyl)-7-thiomorpholin-4-yl-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[2-oxo-8-(2-phenylethynyl)-7-thiomorpholin-4-yl-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[2-keto-8-(2-phenylethynyl)-7-thiomorpholino-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C28H22N4OS MolecularWeight: 462.56548

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=CC3=C(C=C2C#CC4=CC=CC=C4)NC(=O)CC(=N3)C5=CC=CC(=C5)C#N

Isomeric SMILES

C1CSCCN1C2=CC3=C(C=C2C#CC4=CC=CC=C4)NC(=O)CC(=N3)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C28H22N4OS/c29-19-21-7-4-8-22(15-21)24-18-28(33)31-25-16-23(10-9-20-5-2-1-3-6-20)27(17-26(25)30-24)32-11-13-34-14-12-32/h1-8,15-17H,11-14,18H2,(H,31,33)