4-(3,4-dimethoxyphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(3,4-dimethoxyphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3,4-dimethoxyphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(3,4-dimethoxyphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3,4-dimethoxyphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3,4-dimethoxyphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NNC2=S)CCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NNC2=S)CCC3=CC=CC=C3)OC

InChI

InChI=1S/C18H19N3O2S/c1-22-15-10-9-14(12-16(15)23-2)21-17(19-20-18(21)24)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,20,24)