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

Systemtic Name: 6-methylsulfonyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole Openeye Name: 6-methylsulfonyl-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole CAS Name: 6-methylsulfonyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]-1,3-benzothiazole IUPAC Name: 6-methylsulfonyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole Traditional Name: 6-mesyl-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole Formula: C14H10N4O2S4 MolecularWeight: 394.5148

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C14H10N4O2S4/c1-24(19,20)8-4-5-9-11(7-8)22-14(15-9)23-13-16-12(17-18-13)10-3-2-6-21-10/h2-7H,1H3,(H,16,17,18)