6-methylsulfonyl-2-[(4-phenethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole

Systemtic Name: 6-methylsulfonyl-2-[(4-phenethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole Openeye Name: 6-methylsulfonyl-2-[[4-phenethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole CAS Name: 6-methylsulfonyl-2-[(4-phenethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1,3-benzothiazole IUPAC Name: 6-methylsulfonyl-2-[(4-phenethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole Traditional Name: 6-mesyl-2-[[4-phenethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole Formula: C22H18N4O2S4 MolecularWeight: 498.66392

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC3=NN=C(N3CCC4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC3=NN=C(N3CCC4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C22H18N4O2S4/c1-32(27,28)16-9-10-17-19(14-16)30-22(23-17)31-21-25-24-20(18-8-5-13-29-18)26(21)12-11-15-6-3-2-4-7-15/h2-10,13-14H,11-12H2,1H3