3-(4-bromophenyl)-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(4-bromophenyl)-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Openeye Name: 3-(4-bromophenyl)-8-methoxy-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-4-one CAS Name: 3-(4-bromophenyl)-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one IUPAC Name: 3-(4-bromophenyl)-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Traditional Name: 3-(4-bromophenyl)-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-4-one Formula: C17H12BrN3O2S MolecularWeight: 402.26508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C17H12BrN3O2S/c1-23-11-6-7-13-12(8-11)14-15(19-13)16(22)21(17(24)20-14)10-4-2-9(18)3-5-10/h2-8,19H,1H3,(H,20,24)