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

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

CN1C(=NN=C1SCCC#N)C2=CC=CC=C2OC

Isomeric SMILES

CN1C(=NN=C1SCCC#N)C2=CC=CC=C2OC

InChI

InChI=1S/C13H14N4OS/c1-17-12(10-6-3-4-7-11(10)18-2)15-16-13(17)19-9-5-8-14/h3-4,6-7H,5,9H2,1-2H3