5-methyl-2-sulfanyl-benzenecarbonitrile

Systemtic Name: 5-methyl-2-sulfanyl-benzenecarbonitrile Openeye Name: 5-methyl-2-sulfanyl-benzonitrile CAS Name: 2-mercapto-5-methylbenzonitrile IUPAC Name: 5-methyl-2-sulfanylbenzonitrile Traditional Name: 2-mercapto-5-methyl-benzonitrile Formula: C8H7NS MolecularWeight: 149.21288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)S)C#N

InChI

InChI=1S/C8H7NS/c1-6-2-3-8(10)7(4-6)5-9/h2-4,10H,1H3