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

Systemtic Name: 2-[[cyclopropylmethyl(propyl)amino]methyl]-4-phenyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[cyclopropylmethyl(propyl)amino]methyl]-4-phenyl-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[cyclopropylmethyl(propyl)amino]methyl]-4-phenyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[cyclopropylmethyl(propyl)amino]methyl]-4-phenyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[cyclopropylmethyl(propyl)amino]methyl]-4-phenyl-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(CC1CC1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCN(CC1CC1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4=CC=CC=C4

InChI

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