1,5-dimethyl-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide

Systemtic Name: 1,5-dimethyl-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide Openeye Name: N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-1,5-dimethyl-pyrazole-3-carboxamide CAS Name: 1,5-dimethyl-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]-3-pyrazolecarboxamide IUPAC Name: 1,5-dimethyl-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide Traditional Name: N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]-1,5-dimethyl-pyrazole-3-carboxamide Formula: C18H22N4OS3 MolecularWeight: 406.58848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCSC(C)C

Isomeric SMILES

CC1=CC(=NN1C)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCSC(C)C

InChI

InChI=1S/C18H22N4OS3/c1-11(2)24-7-8-25-18-20-14-6-5-13(10-16(14)26-18)19-17(23)15-9-12(3)22(4)21-15/h5-6,9-11H,7-8H2,1-4H3,(H,19,23)