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

Systemtic Name: (2R)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: (2R)-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: (2R)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: (2R)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: (2R)-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]propionitrile Formula: C12H12N4S MolecularWeight: 244.31548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)S[C@H](C)C#N

InChI

InChI=1S/C12H12N4S/c1-8-3-5-10(6-4-8)11-14-12(16-15-11)17-9(2)7-13/h3-6,9H,1-2H3,(H,14,15,16)/t9-/m1/s1