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

Systemtic Name: 2-[7-bromanyl-5-(2-chlorophenyl)-3-methyl-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[7-bromo-5-(2-chlorophenyl)-3-methyl-2-thioxo-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[7-bromo-5-(2-chlorophenyl)-3-methyl-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[7-bromo-5-(2-chlorophenyl)-3-methyl-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[7-bromo-5-(2-chlorophenyl)-3-methyl-2-thioxo-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C18H14BrClN2O2S MolecularWeight: 437.73796

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=S)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3Cl)CC(=O)O

Isomeric SMILES

CC1C(=S)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3Cl)CC(=O)O

InChI

InChI=1S/C18H14BrClN2O2S/c1-10-18(25)22(9-16(23)24)15-7-6-11(19)8-13(15)17(21-10)12-4-2-3-5-14(12)20/h2-8,10H,9H2,1H3,(H,23,24)