3-(2-oxidanylidene-8-thiophen-2-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzenecarbonitrile

Systemtic Name: 3-(2-oxidanylidene-8-thiophen-2-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzenecarbonitrile Openeye Name: 3-[2-oxo-8-(2-thienyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-(2-oxo-8-thiophen-2-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzonitrile IUPAC Name: 3-(2-oxo-8-thiophen-2-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzonitrile Traditional Name: 3-[2-keto-8-(2-thienyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C20H13N3OS MolecularWeight: 343.40172

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)C3=CC=CS3)NC1=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)C3=CC=CS3)NC1=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H13N3OS/c21-12-13-3-1-4-14(9-13)17-11-20(24)23-18-10-15(6-7-16(18)22-17)19-5-2-8-25-19/h1-10H,11H2,(H,23,24)