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

Systemtic Name: 2-(4-ethylphenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidine-4-thiolate Openeye Name: 2-(4-ethylphenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidine-4-thiolate CAS Name: 2-(4-ethylphenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidine-4-thiolate IUPAC Name: 2-(4-ethylphenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidine-4-thiolate Traditional Name: 2-(4-ethylphenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidine-4-thiolate Formula: C20H17N2OS- MolecularWeight: 333.42678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(CC4=C(O3)C=CC(=C4)C)C(=N2)[S-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(CC4=C(O3)C=CC(=C4)C)C(=N2)[S-]

InChI

InChI=1S/C20H18N2OS/c1-3-13-5-7-14(8-6-13)18-21-19-16(20(24)22-18)11-15-10-12(2)4-9-17(15)23-19/h4-10H,3,11H2,1-2H3,(H,21,22,24)/p-1