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

Systemtic Name: methyl 4-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Openeye Name: methyl 4-[(E)-(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate CAS Name: 4-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Traditional Name: 4-[(E)-(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid methyl ester Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1N=CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=NNC(=S)N1/N=C/C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C12H12N4O2S/c1-8-14-15-12(19)16(8)13-7-9-3-5-10(6-4-9)11(17)18-2/h3-7H,1-2H3,(H,15,19)/b13-7+