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

Systemtic Name: 2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[cyclopropyl-[(4-isopropylphenyl)methyl]amino]methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[cyclopropyl-(4-isopropylbenzyl)amino]methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C22H27N5S MolecularWeight: 393.54828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5S/c1-16(2)18-6-4-17(5-7-18)14-26(20-8-9-20)15-27-22(28)25(3)21(24-27)19-10-12-23-13-11-19/h4-7,10-13,16,20H,8-9,14-15H2,1-3H3