7-bromanyl-2-(4-methylphenyl)-5H-chromeno[2,3-d]pyrimidine-4-thiolate

Systemtic Name: 7-bromanyl-2-(4-methylphenyl)-5H-chromeno[2,3-d]pyrimidine-4-thiolate Openeye Name: 7-bromo-2-(p-tolyl)-5H-chromeno[2,3-d]pyrimidine-4-thiolate CAS Name: 7-bromo-2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidine-4-thiolate IUPAC Name: 7-bromo-2-(4-methylphenyl)-5H-chromeno[2,3-d]pyrimidine-4-thiolate Traditional Name: 7-bromo-2-(p-tolyl)-5H-chromeno[2,3-d]pyrimidine-4-thiolate Formula: C18H12BrN2OS- MolecularWeight: 384.26968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(CC4=C(O3)C=CC(=C4)Br)C(=N2)[S-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(CC4=C(O3)C=CC(=C4)Br)C(=N2)[S-]

InChI

InChI=1S/C18H13BrN2OS/c1-10-2-4-11(5-3-10)16-20-17-14(18(23)21-16)9-12-8-13(19)6-7-15(12)22-17/h2-8H,9H2,1H3,(H,20,21,23)/p-1