2-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile

Systemtic Name: 2-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-oxomethyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]thio]benzonitrile Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)C4=CC=CC=C4SC5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)C4=CC=CC=C4SC5=CC=CC=C5C#N

InChI

InChI=1S/C26H21N3O2S/c27-17-19-7-1-5-11-23(19)32-24-12-6-2-8-20(24)26(30)29-15-13-18(14-16-29)25-28-21-9-3-4-10-22(21)31-25/h1-12,18H,13-16H2