2-[8-(2-fluorophenyl)-7-oxidanyl-2-oxidanylidene-1,5-dihydro-1,5-benzodiazepin-4-yl]thiophene-3-carbonitrile

Systemtic Name: 2-[8-(2-fluorophenyl)-7-oxidanyl-2-oxidanylidene-1,5-dihydro-1,5-benzodiazepin-4-yl]thiophene-3-carbonitrile Openeye Name: 2-[8-(2-fluorophenyl)-7-hydroxy-2-oxo-1,5-dihydro-1,5-benzodiazepin-4-yl]thiophene-3-carbonitrile CAS Name: 2-[8-(2-fluorophenyl)-7-hydroxy-2-oxo-1,5-dihydro-1,5-benzodiazepin-4-yl]-3-thiophenecarbonitrile IUPAC Name: 2-[8-(2-fluorophenyl)-7-hydroxy-2-oxo-1,5-dihydro-1,5-benzodiazepin-4-yl]thiophene-3-carbonitrile Traditional Name: 2-[8-(2-fluorophenyl)-7-hydroxy-2-keto-1,5-dihydro-1,5-benzodiazepin-4-yl]thiophene-3-carbonitrile Formula: C20H12FN3O2S MolecularWeight: 377.391583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC3=C(C=C2O)NC(=CC(=O)N3)C4=C(C=CS4)C#N)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC3=C(C=C2O)NC(=CC(=O)N3)C4=C(C=CS4)C#N)F

InChI

InChI=1S/C20H12FN3O2S/c21-14-4-2-1-3-12(14)13-7-15-16(8-18(13)25)23-17(9-19(26)24-15)20-11(10-22)5-6-27-20/h1-9,23,25H,(H,24,26)