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

Systemtic Name: 3-cyclohexyl-5-[(2-methylindol-3-ylidene)methyl]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 3-cyclohexyl-5-[(2-methylindol-3-ylidene)methyl]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 3-cyclohexyl-5-[(2-methyl-3-indolylidene)methyl]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 3-cyclohexyl-5-[(2-methylindol-3-ylidene)methyl]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 3-cyclohexyl-6-keto-5-[(2-methylindol-3-ylidene)methyl]-2-thioxo-pyrimidin-4-olate Formula: C20H20N3O2S- MolecularWeight: 366.4567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C1=CC3=C(N(C(=S)NC3=O)C4CCCCC4)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C1=CC3=C(N(C(=S)NC3=O)C4CCCCC4)[O-]

InChI

InChI=1S/C20H21N3O2S/c1-12-15(14-9-5-6-10-17(14)21-12)11-16-18(24)22-20(26)23(19(16)25)13-7-3-2-4-8-13/h5-6,9-11,13,25H,2-4,7-8H2,1H3,(H,22,24,26)/p-1