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

Systemtic Name: 3-[4-(4-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-(4-methoxyphenyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(4-methoxyphenyl)-5-(2-oxanylmethylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-(4-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-(4-methoxyphenyl)-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazol-3-yl]pyridine Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3CCCCO3)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3CCCCO3)C4=CN=CC=C4

InChI

InChI=1S/C20H22N4O2S/c1-25-17-9-7-16(8-10-17)24-19(15-5-4-11-21-13-15)22-23-20(24)27-14-18-6-2-3-12-26-18/h4-5,7-11,13,18H,2-3,6,12,14H2,1H3