4-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(5-chloro-2-methoxy-phenyl)-4-piperonyl-1H-1,2,4-triazole-5-thione Formula: C17H14ClN3O3S MolecularWeight: 375.82936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN3O3S/c1-22-13-5-3-11(18)7-12(13)16-19-20-17(25)21(16)8-10-2-4-14-15(6-10)24-9-23-14/h2-7H,8-9H2,1H3,(H,20,25)