2-[4-(cyanomethyl)-2,5-bis(methanethioyl)phenyl]ethanenitrile

Systemtic Name: 2-[4-(cyanomethyl)-2,5-bis(methanethioyl)phenyl]ethanenitrile Openeye Name: 2-[4-(cyanomethyl)-2,5-bis(methanethioyl)phenyl]acetonitrile CAS Name: 2-[4-(cyanomethyl)-2,5-bis(methanethioyl)phenyl]acetonitrile IUPAC Name: 2-[4-(cyanomethyl)-2,5-bis(methanethioyl)phenyl]acetonitrile Traditional Name: 2-[4-(cyanomethyl)-2,5-dithioformyl-phenyl]acetonitrile Formula: C12H8N2S2 MolecularWeight: 244.33532

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1C=S)CC#N)C=S)CC#N

Isomeric SMILES

C1=C(C(=CC(=C1C=S)CC#N)C=S)CC#N

InChI

InChI=1S/C12H8N2S2/c13-3-1-9-5-12(8-16)10(2-4-14)6-11(9)7-15/h5-8H,1-2H2