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

Systemtic Name: 2-[8-(4-fluorophenyl)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]thiophene-3-carbonitrile Openeye Name: 2-[8-(4-fluorophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]thiophene-3-carbonitrile CAS Name: 2-[8-(4-fluorophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]-3-thiophenecarbonitrile IUPAC Name: 2-[8-(4-fluorophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]thiophene-3-carbonitrile Traditional Name: 2-[8-(4-fluorophenyl)-2-keto-1,3-dihydro-1,5-benzodiazepin-4-yl]thiophene-3-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=C(C=C3)F)NC1=O)C4=C(C=CS4)C#N

Isomeric SMILES

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

InChI

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