4-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzonitrile Formula: C18H15N3OS MolecularWeight: 321.3962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C18H15N3OS/c1-12-3-8-16(9-13(12)2)17-20-21-18(22-17)23-11-15-6-4-14(10-19)5-7-15/h3-9H,11H2,1-2H3