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

Systemtic Name: 2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-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)CC=C)C4CC4

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5OS/c1-3-13-26-21(18-5-4-12-23-14-18)24-27(22(26)29)16-25(19-8-9-19)15-17-6-10-20(28-2)11-7-17/h3-7,10-12,14,19H,1,8-9,13,15-16H2,2H3