2-[7-bromanyl-5-(2-fluorophenyl)-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]ethanoic acid

Systemtic Name: 2-[7-bromanyl-5-(2-fluorophenyl)-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[7-bromo-5-(2-fluorophenyl)-2-thioxo-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[7-bromo-5-(2-fluorophenyl)-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[7-bromo-5-(2-fluorophenyl)-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[7-bromo-5-(2-fluorophenyl)-2-thioxo-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C17H12BrFN2O2S MolecularWeight: 407.256783

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=S)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3F)CC(=O)O

Isomeric SMILES

C1C(=S)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3F)CC(=O)O

InChI

InChI=1S/C17H12BrFN2O2S/c18-10-5-6-14-12(7-10)17(11-3-1-2-4-13(11)19)20-8-15(24)21(14)9-16(22)23/h1-7H,8-9H2,(H,22,23)