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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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