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

Systemtic Name: 5-[(2-methylindol-3-ylidene)methyl]-3-(2-methylphenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[(2-methylindol-3-ylidene)methyl]-3-(o-tolyl)-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 5-[(2-methyl-3-indolylidene)methyl]-3-(2-methylphenyl)-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[(2-methylindol-3-ylidene)methyl]-3-(2-methylphenyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 6-keto-5-[(2-methylindol-3-ylidene)methyl]-3-(o-tolyl)-2-thioxo-pyrimidin-4-olate Formula: C21H16N3O2S- MolecularWeight: 374.43564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C(=O)NC2=S)C=C3C(=NC4=CC=CC=C43)C)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C(=O)NC2=S)C=C3C(=NC4=CC=CC=C43)C)[O-]

InChI

InChI=1S/C21H17N3O2S/c1-12-7-3-6-10-18(12)24-20(26)16(19(25)23-21(24)27)11-15-13(2)22-17-9-5-4-8-14(15)17/h3-11,26H,1-2H3,(H,23,25,27)/p-1