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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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