2-[4-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanylmethyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[[2-(2-pyrrolylidene)-3H-1,3,4-oxadiazol-5-yl]thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)thio]methyl]phenyl]benzonitrile Formula: C20H14N4OS MolecularWeight: 358.41636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CSC3=NNC(=C4C=CC=N4)O3

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CSC3=NNC(=C4C=CC=N4)O3

InChI

InChI=1S/C20H14N4OS/c21-12-16-4-1-2-5-17(16)15-9-7-14(8-10-15)13-26-20-24-23-19(25-20)18-6-3-11-22-18/h1-11,23H,13H2