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

Systemtic Name: 2-(7-bromanyl-5-pyridin-2-yl-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl)ethanoic acid Openeye Name: 2-[7-bromo-5-(2-pyridyl)-2-thioxo-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[7-bromo-5-(2-pyridinyl)-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-(7-bromo-5-pyridin-2-yl-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl)acetic acid Traditional Name: 2-[7-bromo-5-(2-pyridyl)-2-thioxo-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C16H12BrN3O2S MolecularWeight: 390.25438

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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=N3)CC(=O)O

Isomeric SMILES

C1C(=S)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3)CC(=O)O

InChI

InChI=1S/C16H12BrN3O2S/c17-10-4-5-13-11(7-10)16(12-3-1-2-6-18-12)19-8-14(23)20(13)9-15(21)22/h1-7H,8-9H2,(H,21,22)