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

Systemtic Name: 4-[4-(3-chloranyl-2-methyl-phenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-(3-chloro-2-methyl-phenyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-(3-chloro-2-methylphenyl)-5-(2-oxanylmethylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-(3-chloro-2-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-(3-chloro-2-methyl-phenyl)-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazol-3-yl]pyridine Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=NN=C2SCC3CCCCO3)C4=CC=NC=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=NN=C2SCC3CCCCO3)C4=CC=NC=C4

InChI

InChI=1S/C20H21ClN4OS/c1-14-17(21)6-4-7-18(14)25-19(15-8-10-22-11-9-15)23-24-20(25)27-13-16-5-2-3-12-26-16/h4,6-11,16H,2-3,5,12-13H2,1H3