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

Systemtic Name: 2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-ethyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[cyclopropyl(p-anisyl)amino]methyl]-4-ethyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN(CC2=CC=C(C=C2)OC)C3CC3)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)CN(CC2=CC=C(C=C2)OC)C3CC3)C4=CC=NC=C4

InChI

InChI=1S/C21H25N5OS/c1-3-25-20(17-10-12-22-13-11-17)23-26(21(25)28)15-24(18-6-7-18)14-16-4-8-19(27-2)9-5-16/h4-5,8-13,18H,3,6-7,14-15H2,1-2H3