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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=S)N2C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H13N3O3S/c1-20-12-5-2-10(3-6-12)15-17-18-16(23)19(15)11-4-7-13-14(8-11)22-9-21-13/h2-8H,9H2,1H3,(H,18,23)