2-[2-[5-cyano-2,4-bis(4-methylphenyl)-6-oxidanylidene-pyrimidin-1-yl]ethylsulfanyl]ethanoic acid

Systemtic Name: 2-[2-[5-cyano-2,4-bis(4-methylphenyl)-6-oxidanylidene-pyrimidin-1-yl]ethylsulfanyl]ethanoic acid Openeye Name: 2-[2-[5-cyano-6-oxo-2,4-bis(p-tolyl)pyrimidin-1-yl]ethylsulfanyl]acetic acid CAS Name: 2-[2-[5-cyano-2,4-bis(4-methylphenyl)-6-oxo-1-pyrimidinyl]ethylthio]acetic acid IUPAC Name: 2-[2-[5-cyano-2,4-bis(4-methylphenyl)-6-oxopyrimidin-1-yl]ethylsulfanyl]acetic acid Traditional Name: 2-[2-[5-cyano-6-keto-2,4-bis(p-tolyl)pyrimidin-1-yl]ethylthio]acetic acid Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)N(C(=N2)C3=CC=C(C=C3)C)CCSCC(=O)O)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)N(C(=N2)C3=CC=C(C=C3)C)CCSCC(=O)O)C#N

InChI

InChI=1S/C23H21N3O3S/c1-15-3-7-17(8-4-15)21-19(13-24)23(29)26(11-12-30-14-20(27)28)22(25-21)18-9-5-16(2)6-10-18/h3-10H,11-12,14H2,1-2H3,(H,27,28)