4-[(3-chloranyl-4,5-dimethoxy-phenyl)methylamino]-3-methyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(3-chloranyl-4,5-dimethoxy-phenyl)methylamino]-3-methyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(3-chloro-4,5-dimethoxy-phenyl)methylamino]-3-methyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-3-methyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-3-methyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(3-chloro-4,5-dimethoxy-benzyl)amino]-3-methyl-1H-1,2,4-triazole-5-thione Formula: C12H15ClN4O2S MolecularWeight: 314.7911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1NCC2=CC(=C(C(=C2)Cl)OC)OC

Isomeric SMILES

CC1=NNC(=S)N1NCC2=CC(=C(C(=C2)Cl)OC)OC

InChI

InChI=1S/C12H15ClN4O2S/c1-7-15-16-12(20)17(7)14-6-8-4-9(13)11(19-3)10(5-8)18-2/h4-5,14H,6H2,1-3H3,(H,16,20)