4-(3,4-dimethylphenyl)sulfanyl-3-methyl-benzenecarbonitrile

Systemtic Name: 4-(3,4-dimethylphenyl)sulfanyl-3-methyl-benzenecarbonitrile Openeye Name: 4-(3,4-dimethylphenyl)sulfanyl-3-methyl-benzonitrile CAS Name: 4-[(3,4-dimethylphenyl)thio]-3-methylbenzonitrile IUPAC Name: 4-(3,4-dimethylphenyl)sulfanyl-3-methylbenzonitrile Traditional Name: 4-[(3,4-dimethylphenyl)thio]-3-methyl-benzonitrile Formula: C16H15NS MolecularWeight: 253.362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=C(C=C2)C#N)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=C(C=C2)C#N)C)C

InChI

InChI=1S/C16H15NS/c1-11-4-6-15(9-12(11)2)18-16-7-5-14(10-17)8-13(16)3/h4-9H,1-3H3