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

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5S/c1-5-13-26-21(20-7-6-12-23-14-20)24-27(22(26)28)16-25(4)15-18-8-10-19(11-9-18)17(2)3/h5-12,14,17H,1,13,15-16H2,2-4H3