2-[(5-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-methylsulfonyl-1,3-benzothiazole

Systemtic Name: 2-[(5-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-methylsulfonyl-1,3-benzothiazole Openeye Name: 2-[(5-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-methylsulfonyl-1,3-benzothiazole CAS Name: 2-[(5-butyl-1,3,4-thiadiazol-2-yl)thio]-6-methylsulfonyl-1,3-benzothiazole IUPAC Name: 2-[(5-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-methylsulfonyl-1,3-benzothiazole Traditional Name: 2-[(5-butyl-1,3,4-thiadiazol-2-yl)thio]-6-mesyl-1,3-benzothiazole Formula: C14H15N3O2S4 MolecularWeight: 385.5478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)SC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCCC1=NN=C(S1)SC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C14H15N3O2S4/c1-3-4-5-12-16-17-14(21-12)22-13-15-10-7-6-9(23(2,18)19)8-11(10)20-13/h6-8H,3-5H2,1-2H3