methyl 2-[[5-(2-methylphenyl)-1,2,4-triazin-3-yl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[5-(2-methylphenyl)-1,2,4-triazin-3-yl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[5-(o-tolyl)-1,2,4-triazin-3-yl]amino]butanoate CAS Name: 2-[[5-(2-methylphenyl)-1,2,4-triazin-3-yl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[5-(2-methylphenyl)-1,2,4-triazin-3-yl]amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-[[5-(o-tolyl)-1,2,4-triazin-3-yl]amino]butyric acid methyl ester Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CN=NC(=N2)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=CN=NC(=N2)NC(CCSC)C(=O)OC

InChI

InChI=1S/C16H20N4O2S/c1-11-6-4-5-7-12(11)14-10-17-20-16(19-14)18-13(8-9-23-3)15(21)22-2/h4-7,10,13H,8-9H2,1-3H3,(H,18,19,20)