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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(1,3-benzodioxol-5-yl)-4-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-(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)N2C(=NNC2=S)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C(=NNC2=S)C3=CC4=C(C=C3)OCO4

InChI

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