methyl 4-[(E)-(6-methyl-5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]benzoate

Systemtic Name: methyl 4-[(E)-(6-methyl-5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]benzoate Openeye Name: methyl 4-[(E)-(6-methyl-5-oxo-3-thioxo-2H-1,2,4-triazin-4-yl)iminomethyl]benzoate CAS Name: 4-[(E)-(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]benzoate Traditional Name: 4-[(E)-(5-keto-6-methyl-3-thioxo-2H-1,2,4-triazin-4-yl)iminomethyl]benzoic acid methyl ester Formula: C13H12N4O3S MolecularWeight: 304.32438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N(C1=O)N=CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=NNC(=S)N(C1=O)/N=C/C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C13H12N4O3S/c1-8-11(18)17(13(21)16-15-8)14-7-9-3-5-10(6-4-9)12(19)20-2/h3-7H,1-2H3,(H,16,21)/b14-7+