4-methyl-3-sulfanyl-benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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