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

Systemtic Name: 5-[8-(2-fluorophenyl)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]thiophene-2-carbonitrile Openeye Name: 5-[8-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]thiophene-2-carbonitrile CAS Name: 5-[8-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]-2-thiophenecarbonitrile IUPAC Name: 5-[8-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]thiophene-2-carbonitrile Traditional Name: 5-[8-(2-fluorophenyl)-2-keto-1,3-dihydro-1,5-benzodiazepin-4-yl]thiophene-2-carbonitrile Formula: C20H12FN3OS MolecularWeight: 361.392183

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)C3=CC=CC=C3F)NC1=O)C4=CC=C(S4)C#N

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)C3=CC=CC=C3F)NC1=O)C4=CC=C(S4)C#N

InChI

InChI=1S/C20H12FN3OS/c21-15-4-2-1-3-14(15)12-5-7-16-17(9-12)24-20(25)10-18(23-16)19-8-6-13(11-22)26-19/h1-9H,10H2,(H,24,25)