3-[4-methyl-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]benzenecarbonitrile

Systemtic Name: 3-[4-methyl-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]benzenecarbonitrile Openeye Name: 3-[4-methyl-5-(tetrahydrofuran-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]benzonitrile CAS Name: 3-[4-methyl-5-(2-oxolanylmethylthio)-1,2,4-triazol-3-yl]benzonitrile IUPAC Name: 3-[4-methyl-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]benzonitrile Traditional Name: 3-[4-methyl-5-(tetrahydrofurfurylthio)-1,2,4-triazol-3-yl]benzonitrile Formula: C15H16N4OS MolecularWeight: 300.37874

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2CCCO2)C3=CC=CC(=C3)C#N

Isomeric SMILES

CN1C(=NN=C1SCC2CCCO2)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C15H16N4OS/c1-19-14(12-5-2-4-11(8-12)9-16)17-18-15(19)21-10-13-6-3-7-20-13/h2,4-5,8,13H,3,6-7,10H2,1H3