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

Systemtic Name: 2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C12H13N5S MolecularWeight: 259.33012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SC(C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SC(C)C#N

InChI

InChI=1S/C12H13N5S/c1-8-3-5-10(6-4-8)11-15-16-12(17(11)14)18-9(2)7-13/h3-6,9H,14H2,1-2H3