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

Systemtic Name: 4-cyclopropyl-2-[[ethyl-(phenylmethyl)amino]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[benzyl(ethyl)amino]methyl]-4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[ethyl-(phenylmethyl)amino]methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[benzyl(ethyl)amino]methyl]-4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[benzyl(ethyl)amino]methyl]-4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C20H23N5S MolecularWeight: 365.49512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5S/c1-2-23(14-16-7-4-3-5-8-16)15-24-20(26)25(18-10-11-18)19(22-24)17-9-6-12-21-13-17/h3-9,12-13,18H,2,10-11,14-15H2,1H3