4-[3-(4-aminophenyl)sulfanylphenyl]oxane-4-carbonitrile

Systemtic Name: 4-[3-(4-aminophenyl)sulfanylphenyl]oxane-4-carbonitrile Openeye Name: 4-[3-(4-aminophenyl)sulfanylphenyl]tetrahydropyran-4-carbonitrile CAS Name: 4-[3-[(4-aminophenyl)thio]phenyl]-4-oxanecarbonitrile IUPAC Name: 4-[3-(4-aminophenyl)sulfanylphenyl]oxane-4-carbonitrile Traditional Name: 4-[3-[(4-aminophenyl)thio]phenyl]tetrahydropyran-4-carbonitrile Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C#N)C2=CC(=CC=C2)SC3=CC=C(C=C3)N

Isomeric SMILES

C1COCCC1(C#N)C2=CC(=CC=C2)SC3=CC=C(C=C3)N

InChI

InChI=1S/C18H18N2OS/c19-13-18(8-10-21-11-9-18)14-2-1-3-17(12-14)22-16-6-4-15(20)5-7-16/h1-7,12H,8-11,20H2