3-[[2-(1,3-benzodithiol-2-ylidene)-5-(2-cyanoethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[2-(1,3-benzodithiol-2-ylidene)-5-(2-cyanoethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]propanenitrile Openeye Name: 3-[[2-(1,3-benzodithiol-2-ylidene)-5-(2-cyanoethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]propanenitrile CAS Name: 3-[[2-(1,3-benzodithiol-2-ylidene)-5-(2-cyanoethylthio)-1,3-dithiol-4-yl]thio]propanenitrile IUPAC Name: 3-[[2-(1,3-benzodithiol-2-ylidene)-5-(2-cyanoethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]propanenitrile Traditional Name: 3-[[2-(1,3-benzodithiol-2-ylidene)-5-(2-cyanoethylthio)-1,3-dithiol-4-yl]thio]propionitrile Formula: C16H12N2S6 MolecularWeight: 424.66988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)SC(=C3SC(=C(S3)SCCC#N)SCCC#N)S2

Isomeric SMILES

C1=CC=C2C(=C1)SC(=C3SC(=C(S3)SCCC#N)SCCC#N)S2

InChI

InChI=1S/C16H12N2S6/c17-7-3-9-19-13-14(20-10-4-8-18)24-16(23-13)15-21-11-5-1-2-6-12(11)22-15/h1-2,5-6H,3-4,9-10H2