5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-(phenylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-benzyl-2-[[ethyl(4-pyridylmethyl)amino]methyl]-1,2,4-triazole-3-thione CAS Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-benzyl-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-4-benzyl-2-[[ethyl(4-pyridylmethyl)amino]methyl]-1,2,4-triazole-3-thione Formula: C26H26N6S3 MolecularWeight: 518.71984

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)CN2C(=S)N(C(=N2)CSC3=NC4=CC=CC=C4S3)CC5=CC=CC=C5

Isomeric SMILES

CCN(CC1=CC=NC=C1)CN2C(=S)N(C(=N2)CSC3=NC4=CC=CC=C4S3)CC5=CC=CC=C5

InChI

InChI=1S/C26H26N6S3/c1-2-30(16-21-12-14-27-15-13-21)19-32-26(33)31(17-20-8-4-3-5-9-20)24(29-32)18-34-25-28-22-10-6-7-11-23(22)35-25/h3-15H,2,16-19H2,1H3