4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethoxy]benzenecarbonitrile Openeye Name: 4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethoxy]benzonitrile CAS Name: 4-[2-(1,3-benzothiazol-2-ylthio)ethoxy]benzonitrile IUPAC Name: 4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethoxy]benzonitrile Traditional Name: 4-[2-(1,3-benzothiazol-2-ylthio)ethoxy]benzonitrile Formula: C16H12N2OS2 MolecularWeight: 312.40928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCOC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H12N2OS2/c17-11-12-5-7-13(8-6-12)19-9-10-20-16-18-14-3-1-2-4-15(14)21-16/h1-8H,9-10H2