5-[(7-ethylindol-3-ylidene)methyl]-3-(4-methylphenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 5-[(7-ethylindol-3-ylidene)methyl]-3-(4-methylphenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[(7-ethylindol-3-ylidene)methyl]-6-oxo-3-(p-tolyl)-2-thioxo-pyrimidin-4-olate CAS Name: 5-[(7-ethyl-3-indolylidene)methyl]-3-(4-methylphenyl)-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[(7-ethylindol-3-ylidene)methyl]-3-(4-methylphenyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-[(7-ethylindol-3-ylidene)methyl]-6-keto-3-(p-tolyl)-2-thioxo-pyrimidin-4-olate Formula: C22H18N3O2S- MolecularWeight: 388.46222

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1N=CC2=CC3=C(N(C(=S)NC3=O)C4=CC=C(C=C4)C)[O-]

Isomeric SMILES

CCC1=CC=CC2=C1N=CC2=CC3=C(N(C(=S)NC3=O)C4=CC=C(C=C4)C)[O-]

InChI

InChI=1S/C22H19N3O2S/c1-3-14-5-4-6-17-15(12-23-19(14)17)11-18-20(26)24-22(28)25(21(18)27)16-9-7-13(2)8-10-16/h4-12,27H,3H2,1-2H3,(H,24,26,28)/p-1