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

Systemtic Name: 2-[2-(4-bromophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]ethanoate Openeye Name: 2-[2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]acetate CAS Name: 2-[2-(4-bromophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]acetate IUPAC Name: 2-[2-(4-bromophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]acetate Traditional Name: 2-[2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]acetate Formula: C16H14BrN2O2S- MolecularWeight: 378.26356

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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)/p-1