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

Systemtic Name: 4-(phenylmethyl)-2-[[(phenylmethyl)-propyl-amino]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-[[benzyl(propyl)amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(phenylmethyl)-2-[[(phenylmethyl)-propylamino]methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-[[benzyl(propyl)amino]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-2-[[benzyl(propyl)amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C25H27N5S MolecularWeight: 429.58038

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCN(CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N5S/c1-2-16-28(18-21-10-5-3-6-11-21)20-30-25(31)29(19-22-12-7-4-8-13-22)24(27-30)23-14-9-15-26-17-23/h3-15,17H,2,16,18-20H2,1H3