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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-p-anisyl-4-piperonyl-1H-1,2,4-triazole-5-thione Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NNC(=S)N2CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NNC(=S)N2CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H17N3O3S/c1-22-14-5-2-12(3-6-14)9-17-19-20-18(25)21(17)10-13-4-7-15-16(8-13)24-11-23-15/h2-8H,9-11H2,1H3,(H,20,25)