3-[2-oxidanylidene-8-[2-(1,3-thiazol-2-yl)ethynyl]-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[2-oxidanylidene-8-[2-(1,3-thiazol-2-yl)ethynyl]-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[2-oxo-8-(2-thiazol-2-ylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[2-oxo-8-[2-(2-thiazolyl)ethynyl]-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[2-oxo-8-[2-(1,3-thiazol-2-yl)ethynyl]-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[2-keto-8-(2-thiazol-2-ylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C21H12N4OS MolecularWeight: 368.41118

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)C#CC3=NC=CS3)NC1=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)C#CC3=NC=CS3)NC1=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H12N4OS/c22-13-15-2-1-3-16(10-15)18-12-20(26)25-19-11-14(4-6-17(19)24-18)5-7-21-23-8-9-27-21/h1-4,6,8-11H,12H2,(H,25,26)