3-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-(2,4,6-trimethylphenyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-(2,4,6-trimethylphenyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-(2,4,6-trimethylphenyl)-1H-1,2,4-triazol-5-one CAS Name: 3-(1,3-benzothiazol-2-ylmethylthio)-4-(2,4,6-trimethylphenyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-(2,4,6-trimethylphenyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-(1,3-benzothiazol-2-ylmethylthio)-4-mesityl-1H-1,2,4-triazol-5-one Formula: C19H18N4OS2 MolecularWeight: 382.50242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N2C(=O)NN=C2SCC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N2C(=O)NN=C2SCC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C19H18N4OS2/c1-11-8-12(2)17(13(3)9-11)23-18(24)21-22-19(23)25-10-16-20-14-6-4-5-7-15(14)26-16/h4-9H,10H2,1-3H3,(H,21,24)