3-methyl-4-sulfanyl-benzenecarbonitrile

Systemtic Name: 3-methyl-4-sulfanyl-benzenecarbonitrile Openeye Name: 3-methyl-4-sulfanyl-benzonitrile CAS Name: 4-mercapto-3-methylbenzonitrile IUPAC Name: 3-methyl-4-sulfanylbenzonitrile Traditional Name: 4-mercapto-3-methyl-benzonitrile Formula: C8H7NS MolecularWeight: 149.21288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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