1,3-benzodioxol-5-yl 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 1,3-benzodioxol-5-yl 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 1,3-benzodioxol-5-yl 2-[[4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetic acid 1,3-benzodioxol-5-yl ester Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=NN=C2SCC(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)N2C=NN=C2SCC(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H15N3O4S/c1-12-2-4-13(5-3-12)21-10-19-20-18(21)26-9-17(22)25-14-6-7-15-16(8-14)24-11-23-15/h2-8,10H,9,11H2,1H3