2-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]-5-methyl-4-(phenylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]-5-methyl-4-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]-5-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-5-methyl-4-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-5-methyl-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-2-[[(4-ethoxybenzyl)-methyl-amino]methyl]-5-methyl-1,2,4-triazole-3-thione Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)CN2C(=S)N(C(=N2)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)CN2C(=S)N(C(=N2)C)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N4OS/c1-4-26-20-12-10-19(11-13-20)14-23(3)16-25-21(27)24(17(2)22-25)15-18-8-6-5-7-9-18/h5-13H,4,14-16H2,1-3H3