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

Systemtic Name: 3-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-(3-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=C2)OC

Isomeric SMILES

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

InChI

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