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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=NN=C2SCCC#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=NN=C2SCCC#N

InChI

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