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

Systemtic Name: (2R)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: (2R)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: (2R)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: (2R)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: (2R)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]propionitrile Formula: C13H14N4S MolecularWeight: 258.34206

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)S[C@H](C)C#N

InChI

InChI=1S/C13H14N4S/c1-3-10-4-6-11(7-5-10)12-15-13(17-16-12)18-9(2)8-14/h4-7,9H,3H2,1-2H3,(H,15,16,17)/t9-/m1/s1