5-(5-chloranyl-2-methoxy-phenyl)-2-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-2-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-2-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(5-chloro-2-methoxyphenyl)-2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-2-[[(4-ethoxybenzyl)-methyl-amino]methyl]-1H-1,2,4-triazole-3-thione Formula: C20H23ClN4O2S MolecularWeight: 418.94022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)CN2C(=S)N=C(N2)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)CN2C(=S)N=C(N2)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C20H23ClN4O2S/c1-4-27-16-8-5-14(6-9-16)12-24(2)13-25-20(28)22-19(23-25)17-11-15(21)7-10-18(17)26-3/h5-11H,4,12-13H2,1-3H3,(H,22,23,28)