4-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-methoxyphenyl)-4-piperonyl-1H-1,2,4-triazole-5-thione Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=S)N2CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H15N3O3S/c1-21-13-5-3-12(4-6-13)16-18-19-17(24)20(16)9-11-2-7-14-15(8-11)23-10-22-14/h2-8H,9-10H2,1H3,(H,19,24)