1-cyano-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]cyclopropane-1-carboxamide

Systemtic Name: 1-cyano-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]cyclopropane-1-carboxamide Openeye Name: 1-cyano-N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]cyclopropanecarboxamide CAS Name: 1-cyano-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]-1-cyclopropanecarboxamide IUPAC Name: 1-cyano-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]cyclopropane-1-carboxamide Traditional Name: 1-cyano-N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]cyclopropanecarboxamide Formula: C17H19N3OS3 MolecularWeight: 377.54726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3(CC3)C#N

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3(CC3)C#N

InChI

InChI=1S/C17H19N3OS3/c1-11(2)22-7-8-23-16-20-13-4-3-12(9-14(13)24-16)19-15(21)17(10-18)5-6-17/h3-4,9,11H,5-8H2,1-2H3,(H,19,21)