4-[8-(4-fluorophenyl)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbothioic S-acid

Systemtic Name: 4-[8-(4-fluorophenyl)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbothioic S-acid Openeye Name: 4-[8-(4-fluorophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbothioic S-acid CAS Name: 4-[8-(4-fluorophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]-2-pyridinecarbothioic S-acid IUPAC Name: 4-[8-(4-fluorophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbothioic S-acid Traditional Name: 4-[8-(4-fluorophenyl)-2-keto-1,3-dihydro-1,5-benzodiazepin-4-yl]thiopicolinic acid Formula: C21H14FN3O2S MolecularWeight: 391.418163

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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=CC(=NC=C4)C(=O)S

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)C3=CC=C(C=C3)F)NC1=O)C4=CC(=NC=C4)C(=O)S

InChI

InChI=1S/C21H14FN3O2S/c22-15-4-1-12(2-5-15)13-3-6-16-18(9-13)25-20(26)11-17(24-16)14-7-8-23-19(10-14)21(27)28/h1-10H,11H2,(H,25,26)(H,27,28)