S-(4-methyl-1,2,4-triazol-3-yl) 3,5-dimethoxybenzenecarbothioate

Systemtic Name: S-(4-methyl-1,2,4-triazol-3-yl) 3,5-dimethoxybenzenecarbothioate Openeye Name: S-(4-methyl-1,2,4-triazol-3-yl) 3,5-dimethoxybenzenecarbothioate CAS Name: 3,5-dimethoxybenzenecarbothioic acid S-(4-methyl-1,2,4-triazol-3-yl) ester IUPAC Name: S-(4-methyl-1,2,4-triazol-3-yl) 3,5-dimethoxybenzenecarbothioate Traditional Name: 3,5-dimethoxythiobenzoic acid S-(4-methyl-1,2,4-triazol-3-yl) ester Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC(=O)C2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CN1C=NN=C1SC(=O)C2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C12H13N3O3S/c1-15-7-13-14-12(15)19-11(16)8-4-9(17-2)6-10(5-8)18-3/h4-7H,1-3H3