2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylsulfonyl-1,3-benzothiazole

Systemtic Name: 2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylsulfonyl-1,3-benzothiazole Openeye Name: 6-methylsulfonyl-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]-6-methylsulfonyl-1,3-benzothiazole IUPAC Name: 2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylsulfonyl-1,3-benzothiazole Traditional Name: 6-mesyl-2-[[4-phenyl-5-(tosylmethyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole Formula: C24H20N4O4S4 MolecularWeight: 556.7

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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=C(S4)C=C(C=C5)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(N2C3=CC=CC=C3)SC4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C

InChI

InChI=1S/C24H20N4O4S4/c1-16-8-10-18(11-9-16)36(31,32)15-22-26-27-23(28(22)17-6-4-3-5-7-17)34-24-25-20-13-12-19(35(2,29)30)14-21(20)33-24/h3-14H,15H2,1-2H3