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

Systemtic Name: 2-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-benzyl-2-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-benzyl-2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 5-benzyl-2-[[(4-ethoxybenzyl)-methyl-amino]methyl]-4-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)CC3=CC=CC=C3)C

Isomeric SMILES

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

InChI

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