2-azanyl-6-[4-(2-methylbutan-2-yl)phenyl]sulfanyl-benzenecarbonitrile

Systemtic Name: 2-azanyl-6-[4-(2-methylbutan-2-yl)phenyl]sulfanyl-benzenecarbonitrile Openeye Name: 2-amino-6-[4-(1,1-dimethylpropyl)phenyl]sulfanyl-benzonitrile CAS Name: 2-amino-6-[[4-(2-methylbutan-2-yl)phenyl]thio]benzonitrile IUPAC Name: 2-amino-6-[4-(2-methylbutan-2-yl)phenyl]sulfanylbenzonitrile Traditional Name: 2-amino-6-[(4-tert-amylphenyl)thio]benzonitrile Formula: C18H20N2S MolecularWeight: 296.4298

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)SC2=CC=CC(=C2C#N)N

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)SC2=CC=CC(=C2C#N)N

InChI

InChI=1S/C18H20N2S/c1-4-18(2,3)13-8-10-14(11-9-13)21-17-7-5-6-16(20)15(17)12-19/h5-11H,4,20H2,1-3H3