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

Systemtic Name: 3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]propionitrile Formula: C12H12N4OS MolecularWeight: 260.31488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4OS/c1-17-10-5-3-9(4-6-10)11-14-12(16-15-11)18-8-2-7-13/h3-6H,2,8H2,1H3,(H,14,15,16)