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

Systemtic Name: 4-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C14H16N4OS MolecularWeight: 288.36804

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCC#N)C2=CC=C(C=C2)OC

Isomeric SMILES

CN1C(=NN=C1SCCCC#N)C2=CC=C(C=C2)OC

InChI

InChI=1S/C14H16N4OS/c1-18-13(11-5-7-12(19-2)8-6-11)16-17-14(18)20-10-4-3-9-15/h5-8H,3-4,10H2,1-2H3