2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]thio]propionitrile Formula: C12H11ClN4OS MolecularWeight: 294.75994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NNC(=N1)C2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CC(C#N)SC1=NNC(=N1)C2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C12H11ClN4OS/c1-7(6-14)19-12-15-11(16-17-12)9-5-8(13)3-4-10(9)18-2/h3-5,7H,1-2H3,(H,15,16,17)