2-[[(5-chloranyl-2-methoxy-phenyl)methyl-methyl-amino]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(5-chloranyl-2-methoxy-phenyl)methyl-methyl-amino]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[(5-chloro-2-methoxy-phenyl)methyl-methyl-amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[(5-chloro-2-methoxy-benzyl)-methyl-amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C20H22ClN5OS MolecularWeight: 415.93958

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)Cl)OC)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC=C

Isomeric SMILES

CN(CC1=C(C=CC(=C1)Cl)OC)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC=C

InChI

InChI=1S/C20H22ClN5OS/c1-4-10-25-19(15-6-5-9-22-12-15)23-26(20(25)28)14-24(2)13-16-11-17(21)7-8-18(16)27-3/h4-9,11-12H,1,10,13-14H2,2-3H3