[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 4-methylbenzoate

Systemtic Name: [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 4-methylbenzoate Openeye Name: [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [6-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-3-pyranyl] ester IUPAC Name: [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-keto-6-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]pyran-3-yl] ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NN=CN3C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NN=CN3C

InChI

InChI=1S/C17H15N3O4S/c1-11-3-5-12(6-4-11)16(22)24-15-8-23-13(7-14(15)21)9-25-17-19-18-10-20(17)2/h3-8,10H,9H2,1-2H3