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

Systemtic Name: 5-cyclopropyl-2-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]-4-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-cyclopropyl-2-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-cyclopropyl-2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-cyclopropyl-2-[[(4-ethoxybenzyl)-methyl-amino]methyl]-1,2,4-triazole-3-thione Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)CN2C(=S)N(C(=N2)C3CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)CN2C(=S)N(C(=N2)C3CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4OS/c1-3-28-21-13-9-19(10-14-21)15-25(2)17-27-23(29)26(22(24-27)20-11-12-20)16-18-7-5-4-6-8-18/h4-10,13-14,20H,3,11-12,15-17H2,1-2H3