2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethylsulfonyl]-1,3-benzothiazole

Systemtic Name: 2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethylsulfonyl]-1,3-benzothiazole Openeye Name: 2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethylsulfonyl]-1,3-benzothiazole CAS Name: 2-[2-(1H-1,2,4-triazol-5-ylthio)ethylsulfonyl]-1,3-benzothiazole IUPAC Name: 2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethylsulfonyl]-1,3-benzothiazole Traditional Name: 2-[2-(1H-1,2,4-triazol-5-ylthio)ethylsulfonyl]-1,3-benzothiazole Formula: C11H10N4O2S3 MolecularWeight: 326.4177

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)CCSC3=NC=NN3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)CCSC3=NC=NN3

InChI

InChI=1S/C11H10N4O2S3/c16-20(17,6-5-18-10-12-7-13-15-10)11-14-8-3-1-2-4-9(8)19-11/h1-4,7H,5-6H2,(H,12,13,15)