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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(2,4-dichlorophenyl)-4-piperonyl-1H-1,2,4-triazole-5-thione Formula: C16H11Cl2N3O2S MolecularWeight: 380.24844

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NNC3=S)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NNC3=S)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C16H11Cl2N3O2S/c17-10-2-3-11(12(18)6-10)15-19-20-16(24)21(15)7-9-1-4-13-14(5-9)23-8-22-13/h1-6H,7-8H2,(H,20,24)