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

Systemtic Name: 4-cyclopropyl-2-[[(phenylmethyl)-propyl-amino]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[benzyl(propyl)amino]methyl]-4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[(phenylmethyl)-propylamino]methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[benzyl(propyl)amino]methyl]-4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[benzyl(propyl)amino]methyl]-4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C21H25N5S MolecularWeight: 379.5217

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4CC4

Isomeric SMILES

CCCN(CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4CC4

InChI

InChI=1S/C21H25N5S/c1-2-13-24(15-17-7-4-3-5-8-17)16-25-21(27)26(19-10-11-19)20(23-25)18-9-6-12-22-14-18/h3-9,12,14,19H,2,10-11,13,15-16H2,1H3