4-[3-(4-aminophenyl)sulfanylphenyl]oxane-2-carbonitrile

Systemtic Name: 4-[3-(4-aminophenyl)sulfanylphenyl]oxane-2-carbonitrile Openeye Name: 4-[3-(4-aminophenyl)sulfanylphenyl]tetrahydropyran-2-carbonitrile CAS Name: 4-[3-[(4-aminophenyl)thio]phenyl]-2-oxanecarbonitrile IUPAC Name: 4-[3-(4-aminophenyl)sulfanylphenyl]oxane-2-carbonitrile Traditional Name: 4-[3-[(4-aminophenyl)thio]phenyl]tetrahydropyran-2-carbonitrile Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CC1C2=CC(=CC=C2)SC3=CC=C(C=C3)N)C#N

Isomeric SMILES

C1COC(CC1C2=CC(=CC=C2)SC3=CC=C(C=C3)N)C#N

InChI

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