2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole Openeye Name: 2-[[4-phenyl-5-(p-tolylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole CAS Name: 2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole IUPAC Name: 2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole Traditional Name: 2-[[4-phenyl-5-(tosylmethyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole Formula: C23H18N4O2S3 MolecularWeight: 478.60962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(N2C3=CC=CC=C3)SC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(N2C3=CC=CC=C3)SC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H18N4O2S3/c1-16-11-13-18(14-12-16)32(28,29)15-21-25-26-22(27(21)17-7-3-2-4-8-17)31-23-24-19-9-5-6-10-20(19)30-23/h2-14H,15H2,1H3