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

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

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

Isomeric SMILES

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

InChI

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