2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-4-propyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-[(2,6-dimethyl-4-morpholinyl)sulfonyl]-1-piperazinyl]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(2,6-dimethylmorpholino)sulfonylpiperazino]methyl]-4-propyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C21H33N7O3S2 MolecularWeight: 495.66182

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)N3CC(OC(C3)C)C)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)N3CC(OC(C3)C)C)C4=CC=NC=C4

InChI

InChI=1S/C21H33N7O3S2/c1-4-9-27-20(19-5-7-22-8-6-19)23-28(21(27)32)16-24-10-12-25(13-11-24)33(29,30)26-14-17(2)31-18(3)15-26/h5-8,17-18H,4,9-16H2,1-3H3