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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)C#N)SCC3CCCO3

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)C#N)SCC3CCCO3

InChI

InChI=1S/C15H16N4OS/c1-11-17-18-15(21-10-14-3-2-8-20-14)19(11)13-6-4-12(9-16)5-7-13/h4-7,14H,2-3,8,10H2,1H3