methyl 2-[(Z)-1-cyano-2-[(4-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]ethenyl]sulfonylbenzoate

Systemtic Name: methyl 2-[(Z)-1-cyano-2-[(4-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]ethenyl]sulfonylbenzoate Openeye Name: methyl 2-[(Z)-1-cyano-2-[(4-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]vinyl]sulfonylbenzoate CAS Name: 2-[(Z)-1-cyano-2-[[4-cyclopropyl-6-(methylthio)-1,3,5-triazin-2-yl]amino]ethenyl]sulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-[(Z)-1-cyano-2-[(4-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]ethenyl]sulfonylbenzoate Traditional Name: 2-[(Z)-1-cyano-2-[[4-cyclopropyl-6-(methylthio)-s-triazin-2-yl]amino]vinyl]sulfonylbenzoic acid methyl ester Formula: C18H17N5O4S2 MolecularWeight: 431.48868

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)C(=CNC2=NC(=NC(=N2)C3CC3)SC)C#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)/C(=C\NC2=NC(=NC(=N2)C3CC3)SC)/C#N

InChI

InChI=1S/C18H17N5O4S2/c1-27-16(24)13-5-3-4-6-14(13)29(25,26)12(9-19)10-20-17-21-15(11-7-8-11)22-18(23-17)28-2/h3-6,10-11H,7-8H2,1-2H3,(H,20,21,22,23)/b12-10-