2-[2-(4-bromophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]ethanoic acid

Systemtic Name: 2-[2-(4-bromophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]ethanoic acid Openeye Name: 2-[2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]acetic acid CAS Name: 2-[2-(4-bromophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]acetic acid IUPAC Name: 2-[2-(4-bromophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]acetic acid Traditional Name: 2-[2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]acetic acid Formula: C16H15BrN2O2S MolecularWeight: 379.2715

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=S)N=C(N2CC(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCC2=C(C1)C(=S)N=C(N2CC(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H15BrN2O2S/c17-11-7-5-10(6-8-11)15-18-16(22)12-3-1-2-4-13(12)19(15)9-14(20)21/h5-8H,1-4,9H2,(H,20,21)