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

Systemtic Name: 4-cyclopropyl-2-[(4-phenylpiperazin-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[(4-phenylpiperazin-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[(4-phenyl-1-piperazinyl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[(4-phenylpiperazin-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[(4-phenylpiperazino)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C21H24N6S MolecularWeight: 392.52046

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)CN3CCN(CC3)C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

C1CC1N2C(=NN(C2=S)CN3CCN(CC3)C4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C21H24N6S/c28-21-26(16-24-12-14-25(15-13-24)18-4-2-1-3-5-18)23-20(27(21)19-6-7-19)17-8-10-22-11-9-17/h1-5,8-11,19H,6-7,12-16H2