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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCCC#N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCCC#N

InChI

InChI=1S/C12H11ClN4OS/c1-18-10-4-3-8(13)7-9(10)11-15-12(17-16-11)19-6-2-5-14/h3-4,7H,2,6H2,1H3,(H,15,16,17)