methyl 4-[(E)-(6-tert-butyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazin-4-yl)iminomethyl]benzoate

Systemtic Name: methyl 4-[(E)-(6-tert-butyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazin-4-yl)iminomethyl]benzoate Openeye Name: methyl 4-[(E)-(6-tert-butyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)iminomethyl]benzoate CAS Name: 4-[(E)-[6-tert-butyl-3-(methylthio)-5-oxo-1,2,4-triazin-4-yl]iminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-(6-tert-butyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)iminomethyl]benzoate Traditional Name: 4-[(E)-[6-tert-butyl-5-keto-3-(methylthio)-1,2,4-triazin-4-yl]iminomethyl]benzoic acid methyl ester Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(N(C1=O)N=CC2=CC=C(C=C2)C(=O)OC)SC

Isomeric SMILES

CC(C)(C)C1=NN=C(N(C1=O)/N=C/C2=CC=C(C=C2)C(=O)OC)SC

InChI

InChI=1S/C17H20N4O3S/c1-17(2,3)13-14(22)21(16(25-5)20-19-13)18-10-11-6-8-12(9-7-11)15(23)24-4/h6-10H,1-5H3/b18-10+