4-(4-bromophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one

Systemtic Name: 4-(4-bromophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one Openeye Name: 4-(4-bromophenyl)-2-thioxo-1,3,4,6,7,8-hexahydroquinazolin-5-one CAS Name: 4-(4-bromophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one IUPAC Name: 4-(4-bromophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one Traditional Name: 4-(4-bromophenyl)-2-thioxo-1,3,4,6,7,8-hexahydroquinazolin-5-one Formula: C14H13BrN2OS MolecularWeight: 337.23482

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(NC(=S)N2)C3=CC=C(C=C3)Br)C(=O)C1

Isomeric SMILES

C1CC2=C(C(NC(=S)N2)C3=CC=C(C=C3)Br)C(=O)C1

InChI

InChI=1S/C14H13BrN2OS/c15-9-6-4-8(5-7-9)13-12-10(16-14(19)17-13)2-1-3-11(12)18/h4-7,13H,1-3H2,(H2,16,17,19)