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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C(=C2)O)C3=CC=CC=C3F)NC1=O)C4=CC(=CS4)C#N

Isomeric SMILES

C1C(=NC2=C(C=C(C(=C2)O)C3=CC=CC=C3F)NC1=O)C4=CC(=CS4)C#N

InChI

InChI=1S/C20H12FN3O2S/c21-14-4-2-1-3-12(14)13-6-15-16(7-18(13)25)23-17(8-20(26)24-15)19-5-11(9-22)10-27-19/h1-7,10,25H,8H2,(H,24,26)