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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-yl)-3-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazole-5-thione Formula: C16H12ClN3O3S MolecularWeight: 361.80278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O3S/c1-21-12-4-2-9(17)6-11(12)15-18-19-16(24)20(15)10-3-5-13-14(7-10)23-8-22-13/h2-7H,8H2,1H3,(H,19,24)