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

Systemtic Name: 4-cyclopropyl-2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[[(4-isopropylphenyl)methyl-methyl-amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[[(4-isopropylbenzyl)-methyl-amino]methyl]-5-(3-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(C)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4CC4

Isomeric SMILES

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

InChI

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