3-[4-(2,4-dimethylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[4-(2,4-dimethylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-(2,4-dimethylphenyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(2,4-dimethylphenyl)-5-(2-oxanylmethylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-(2,4-dimethylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-(2,4-dimethylphenyl)-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazol-3-yl]pyridine Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=C2SCC3CCCCO3)C4=CN=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=C2SCC3CCCCO3)C4=CN=CC=C4)C

InChI

InChI=1S/C21H24N4OS/c1-15-8-9-19(16(2)12-15)25-20(17-6-5-10-22-13-17)23-24-21(25)27-14-18-7-3-4-11-26-18/h5-6,8-10,12-13,18H,3-4,7,11,14H2,1-2H3