2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(tert-butylsulfamoyl)phenyl]ethanamide

Systemtic Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(tert-butylsulfamoyl)phenyl]ethanamide Openeye Name: 2-[[4-allyl-5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(tert-butylsulfamoyl)phenyl]acetamide CAS Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-[4-(tert-butylsulfamoyl)phenyl]acetamide IUPAC Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(tert-butylsulfamoyl)phenyl]acetamide Traditional Name: 2-[[4-allyl-5-[(1,3-benzothiazol-2-ylthio)methyl]-1,2,4-triazol-3-yl]thio]-N-[4-(tert-butylsulfamoyl)phenyl]acetamide Formula: C25H28N6O3S4 MolecularWeight: 588.78822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H28N6O3S4/c1-5-14-31-21(15-36-24-27-19-8-6-7-9-20(19)37-24)28-29-23(31)35-16-22(32)26-17-10-12-18(13-11-17)38(33,34)30-25(2,3)4/h5-13,30H,1,14-16H2,2-4H3,(H,26,32)