6-azanyl-2-(4-tert-butylphenyl)sulfanyl-3-(2-methylpropoxy)benzenecarbonitrile

Systemtic Name: 6-azanyl-2-(4-tert-butylphenyl)sulfanyl-3-(2-methylpropoxy)benzenecarbonitrile Openeye Name: 6-amino-2-(4-tert-butylphenyl)sulfanyl-3-isobutoxy-benzonitrile CAS Name: 6-amino-2-[(4-tert-butylphenyl)thio]-3-(2-methylpropoxy)benzonitrile IUPAC Name: 6-amino-2-(4-tert-butylphenyl)sulfanyl-3-(2-methylpropoxy)benzonitrile Traditional Name: 6-amino-2-[(4-tert-butylphenyl)thio]-3-isobutoxy-benzonitrile Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C(=C(C=C1)N)C#N)SC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)COC1=C(C(=C(C=C1)N)C#N)SC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H26N2OS/c1-14(2)13-24-19-11-10-18(23)17(12-22)20(19)25-16-8-6-15(7-9-16)21(3,4)5/h6-11,14H,13,23H2,1-5H3