4-[(E)-(4-methyl-5-methylsulfanyl-1,3-dithiol-2-ylidene)methyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-(4-methyl-5-methylsulfanyl-1,3-dithiol-2-ylidene)methyl]benzenecarbonitrile Openeye Name: 4-[(E)-(4-methyl-5-methylsulfanyl-1,3-dithiol-2-ylidene)methyl]benzonitrile CAS Name: 4-[(E)-[4-methyl-5-(methylthio)-1,3-dithiol-2-ylidene]methyl]benzonitrile IUPAC Name: 4-[(E)-(4-methyl-5-methylsulfanyl-1,3-dithiol-2-ylidene)methyl]benzonitrile Traditional Name: 4-[(E)-[4-methyl-5-(methylthio)-1,3-dithiol-2-ylidene]methyl]benzonitrile Formula: C13H11NS3 MolecularWeight: 277.42814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=CC2=CC=C(C=C2)C#N)S1)SC

Isomeric SMILES

CC1=C(S/C(=C/C2=CC=C(C=C2)C#N)/S1)SC

InChI

InChI=1S/C13H11NS3/c1-9-13(15-2)17-12(16-9)7-10-3-5-11(8-14)6-4-10/h3-7H,1-2H3/b12-7+