2-(1,3-benzothiazol-2-yl)-3,3-bis(methylsulfanyl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3,3-bis(methylsulfanyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3,3-bis(methylsulfanyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3,3-bis(methylthio)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3,3-bis(methylsulfanyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3,3-bis(methylthio)acrylonitrile Formula: C12H10N2S3 MolecularWeight: 278.4162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)C1=NC2=CC=CC=C2S1)SC

Isomeric SMILES

CSC(=C(C#N)C1=NC2=CC=CC=C2S1)SC

InChI

InChI=1S/C12H10N2S3/c1-15-12(16-2)8(7-13)11-14-9-5-3-4-6-10(9)17-11/h3-6H,1-2H3