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

Systemtic Name: 3-(2-oxidanylidene-8-thiophen-3-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzenecarbonitrile Openeye Name: 3-[2-oxo-8-(3-thienyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[2-oxo-8-(3-thiophenyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-(2-oxo-8-thiophen-3-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzonitrile Traditional Name: 3-[2-keto-8-(3-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=CSC=C3)NC1=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

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

InChI

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