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

Systemtic Name: 4-cyclopropyl-2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[[cyclopropyl(p-anisyl)amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4CC4)C5CC5

Isomeric SMILES

COC1=CC=C(C=C1)CN(CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4CC4)C5CC5

InChI

InChI=1S/C22H25N5OS/c1-28-20-10-4-16(5-11-20)14-25(18-6-7-18)15-26-22(29)27(19-8-9-19)21(24-26)17-3-2-12-23-13-17/h2-5,10-13,18-19H,6-9,14-15H2,1H3