2-[[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-tert-butyl-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-tert-butyl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[2-(1,3-benzothiazol-2-yl)-1-piperidyl]methyl]-5-tert-butyl-1H-1,2,4-triazole-3-thione CAS Name: 2-[[2-(1,3-benzothiazol-2-yl)-1-piperidinyl]methyl]-5-tert-butyl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-tert-butyl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[2-(1,3-benzothiazol-2-yl)piperidino]methyl]-5-tert-butyl-1H-1,2,4-triazole-3-thione Formula: C19H25N5S2 MolecularWeight: 387.5653

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=S)N(N1)CN2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)C1=NC(=S)N(N1)CN2CCCCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H25N5S2/c1-19(2,3)17-21-18(25)24(22-17)12-23-11-7-6-9-14(23)16-20-13-8-4-5-10-15(13)26-16/h4-5,8,10,14H,6-7,9,11-12H2,1-3H3,(H,21,22,25)