4-cyclopropyl-5-piperidin-1-yl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclopropyl-5-piperidin-1-yl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-5-(1-piperidyl)-2-[[4-(4-pyridylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-5-(1-piperidinyl)-2-[[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-5-piperidin-1-yl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-5-piperidino-2-[[4-(4-pyridylmethyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C21H31N7S MolecularWeight: 413.58274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN(C(=S)N2C3CC3)CN4CCN(CC4)CC5=CC=NC=C5

Isomeric SMILES

C1CCN(CC1)C2=NN(C(=S)N2C3CC3)CN4CCN(CC4)CC5=CC=NC=C5

InChI

InChI=1S/C21H31N7S/c29-21-27(23-20(28(21)19-4-5-19)26-10-2-1-3-11-26)17-25-14-12-24(13-15-25)16-18-6-8-22-9-7-18/h6-9,19H,1-5,10-17H2