4-prop-2-enyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-prop-2-enyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[4-(2-pyridyl)piperazin-1-yl]methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thione CAS Name: 4-prop-2-enyl-2-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thione IUPAC Name: 4-prop-2-enyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[4-(2-pyridyl)piperazino]methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thione Formula: C24H30N6O3S MolecularWeight: 482.5984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN(C(=S)N2CC=C)CN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN(C(=S)N2CC=C)CN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C24H30N6O3S/c1-5-10-29-23(18-15-19(31-2)22(33-4)20(16-18)32-3)26-30(24(29)34)17-27-11-13-28(14-12-27)21-8-6-7-9-25-21/h5-9,15-16H,1,10-14,17H2,2-4H3