ethyl methanoate; ethyl 5-methylsulfanyl-6-oxidanylidene-3-phenyl-1,2,4-triazine-1-carboxylate; 5-methylsulfanyl-3-phenyl-1,2,4-triazin-6-amine

Systemtic Name: ethyl methanoate; ethyl 5-methylsulfanyl-6-oxidanylidene-3-phenyl-1,2,4-triazine-1-carboxylate; 5-methylsulfanyl-3-phenyl-1,2,4-triazin-6-amine Openeye Name: ethyl formate; ethyl 5-methylsulfanyl-6-oxo-3-phenyl-1,2,4-triazine-1-carboxylate; 5-methylsulfanyl-3-phenyl-1,2,4-triazin-6-amine CAS Name: formic acid ethyl ester; 5-(methylthio)-6-oxo-3-phenyl-1,2,4-triazine-1-carboxylic acid ethyl ester; 5-(methylthio)-3-phenyl-1,2,4-triazin-6-amine IUPAC Name: ethyl formate; ethyl 5-methylsulfanyl-6-oxo-3-phenyl-1,2,4-triazine-1-carboxylate; 5-methylsulfanyl-3-phenyl-1,2,4-triazin-6-amine Traditional Name: formic acid ethyl ester; 6-keto-5-(methylthio)-3-phenyl-1,2,4-triazine-1-carboxylic acid ethyl ester; [5-(methylthio)-3-phenyl-1,2,4-triazin-6-yl]amine Formula: C26H29N7O5S2 MolecularWeight: 583.68236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC=O.CCOC(=O)N1C(=O)C(=NC(=N1)C2=CC=CC=C2)SC.CSC1=C(N=NC(=N1)C2=CC=CC=C2)N

Isomeric SMILES

CCOC=O.CCOC(=O)N1C(=O)C(=NC(=N1)C2=CC=CC=C2)SC.CSC1=C(N=NC(=N1)C2=CC=CC=C2)N

InChI

InChI=1S/C13H13N3O3S.C10H10N4S.C3H6O2/c1-3-19-13(18)16-12(17)11(20-2)14-10(15-16)9-7-5-4-6-8-9;1-15-10-8(11)13-14-9(12-10)7-5-3-2-4-6-7;1-2-5-3-4/h4-8H,3H2,1-2H3;2-6H,1H3,(H2,11,13);3H,2H2,1H3