4-(3,4-dimethoxyphenyl)-5-phenyl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-(3,4-dimethoxyphenyl)-5-phenyl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-(3,4-dimethoxyphenyl)-5-phenyl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-(3,4-dimethoxyphenyl)-5-phenyl-2-(1-pyrrolidinylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(3,4-dimethoxyphenyl)-5-phenyl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-(3,4-dimethoxyphenyl)-5-phenyl-2-(pyrrolidinomethyl)-1,2,4-triazole-3-thione Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN(C2=S)CN3CCCC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN(C2=S)CN3CCCC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C21H24N4O2S/c1-26-18-11-10-17(14-19(18)27-2)25-20(16-8-4-3-5-9-16)22-24(21(25)28)15-23-12-6-7-13-23/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3