2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 2-[[2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[2-(2,4-dimethoxyphenyl)pyrrolidino]methyl]-1,2,4-triazole-3-thione Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCCN2CN3C(=S)N(C=N3)CC=C)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2CCCN2CN3C(=S)N(C=N3)CC=C)OC

InChI

InChI=1S/C18H24N4O2S/c1-4-9-20-12-19-22(18(20)25)13-21-10-5-6-16(21)15-8-7-14(23-2)11-17(15)24-3/h4,7-8,11-12,16H,1,5-6,9-10,13H2,2-3H3