2-[(4,5-diphenyl-1,3-oxazol-2-yl)-sulfanyl-methyl]benzenecarbonitrile

Systemtic Name: 2-[(4,5-diphenyl-1,3-oxazol-2-yl)-sulfanyl-methyl]benzenecarbonitrile Openeye Name: 2-[(4,5-diphenyloxazol-2-yl)-sulfanyl-methyl]benzonitrile CAS Name: 2-[(4,5-diphenyl-2-oxazolyl)-mercaptomethyl]benzonitrile IUPAC Name: 2-[(4,5-diphenyl-1,3-oxazol-2-yl)-sulfanylmethyl]benzonitrile Traditional Name: 2-[(4,5-diphenyloxazol-2-yl)-mercapto-methyl]benzonitrile Formula: C23H16N2OS MolecularWeight: 368.45094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(OC(=N2)C(C3=CC=CC=C3C#N)S)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC(=N2)C(C3=CC=CC=C3C#N)S)C4=CC=CC=C4

InChI

InChI=1S/C23H16N2OS/c24-15-18-13-7-8-14-19(18)22(27)23-25-20(16-9-3-1-4-10-16)21(26-23)17-11-5-2-6-12-17/h1-14,22,27H