(6-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazin-4-yl)methyl 4-phenylbenzoate

Systemtic Name: (6-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazin-4-yl)methyl 4-phenylbenzoate Openeye Name: (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4-yl]methyl ester IUPAC Name: (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [5-keto-6-methyl-3-(methylthio)-1,2,4-triazin-4-yl]methyl ester Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)COC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)SC

Isomeric SMILES

CC1=NN=C(N(C1=O)COC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)SC

InChI

InChI=1S/C19H17N3O3S/c1-13-17(23)22(19(26-2)21-20-13)12-25-18(24)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3