[(E)-[4,6-bis(chloranyl)-2-methylsulfanyl-pyrimidin-5-yl]methylideneamino] 4-methylbenzoate

Systemtic Name: [(E)-[4,6-bis(chloranyl)-2-methylsulfanyl-pyrimidin-5-yl]methylideneamino] 4-methylbenzoate Openeye Name: [(E)-(4,6-dichloro-2-methylsulfanyl-pyrimidin-5-yl)methyleneamino] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(E)-[4,6-dichloro-2-(methylthio)-5-pyrimidinyl]methylideneamino] ester IUPAC Name: [(E)-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)methylideneamino] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(E)-[4,6-dichloro-2-(methylthio)pyrimidin-5-yl]methyleneamino] ester Formula: C14H11Cl2N3O2S MolecularWeight: 356.22704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)ON=CC2=C(N=C(N=C2Cl)SC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O/N=C/C2=C(N=C(N=C2Cl)SC)Cl

InChI

InChI=1S/C14H11Cl2N3O2S/c1-8-3-5-9(6-4-8)13(20)21-17-7-10-11(15)18-14(22-2)19-12(10)16/h3-7H,1-2H3/b17-7+