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

Systemtic Name: 5-methyl-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-1H-pyrazole-3-carboxamide Openeye Name: N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-5-methyl-1H-pyrazole-3-carboxamide CAS Name: 5-methyl-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]-1H-pyrazole-3-carboxamide IUPAC Name: 5-methyl-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-1H-pyrazole-3-carboxamide Traditional Name: N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]-5-methyl-1H-pyrazole-3-carboxamide Formula: C17H20N4OS3 MolecularWeight: 392.5619

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCSC(C)C

Isomeric SMILES

CC1=CC(=NN1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCSC(C)C

InChI

InChI=1S/C17H20N4OS3/c1-10(2)23-6-7-24-17-19-13-5-4-12(9-15(13)25-17)18-16(22)14-8-11(3)20-21-14/h4-5,8-10H,6-7H2,1-3H3,(H,18,22)(H,20,21)