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

Systemtic Name: 3-cyano-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: 3-cyano-N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide CAS Name: 3-cyano-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-cyano-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: 3-cyano-N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]benzamide Formula: C20H19N3OS3 MolecularWeight: 413.57936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3OS3/c1-13(2)25-8-9-26-20-23-17-7-6-16(11-18(17)27-20)22-19(24)15-5-3-4-14(10-15)12-21/h3-7,10-11,13H,8-9H2,1-2H3,(H,22,24)