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

Systemtic Name: (2R)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: (2R)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: (2R)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: (2R)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: (2R)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propionitrile Formula: C13H14N4OS MolecularWeight: 274.34146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NN=C(N1C)C2=CC=C(C=C2)OC

Isomeric SMILES

C[C@H](C#N)SC1=NN=C(N1C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C13H14N4OS/c1-9(8-14)19-13-16-15-12(17(13)2)10-4-6-11(18-3)7-5-10/h4-7,9H,1-3H3/t9-/m1/s1