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

Systemtic Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]-4-methyl-1,2,4-triazole-3-thione Openeye Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-2-[[(4-ethoxybenzyl)-methyl-amino]methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C22H25N5OS3 MolecularWeight: 471.6618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)CN2C(=S)N(C(=N2)CSC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)CN2C(=S)N(C(=N2)CSC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H25N5OS3/c1-4-28-17-11-9-16(10-12-17)13-25(2)15-27-22(29)26(3)20(24-27)14-30-21-23-18-7-5-6-8-19(18)31-21/h5-12H,4,13-15H2,1-3H3