2-methyl-4-sulfanyl-benzene-1,3-dicarbonitrile

Systemtic Name: 2-methyl-4-sulfanyl-benzene-1,3-dicarbonitrile Openeye Name: 2-methyl-4-sulfanyl-benzene-1,3-dicarbonitrile CAS Name: 4-mercapto-2-methylbenzene-1,3-dicarbonitrile IUPAC Name: 2-methyl-4-sulfanylbenzene-1,3-dicarbonitrile Traditional Name: 4-mercapto-2-methyl-isophthalonitrile Formula: C9H6N2S MolecularWeight: 174.22234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C#N)S)C#N

Isomeric SMILES

CC1=C(C=CC(=C1C#N)S)C#N

InChI

InChI=1S/C9H6N2S/c1-6-7(4-10)2-3-9(12)8(6)5-11/h2-3,12H,1H3