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

Systemtic Name: 4-[4-(4-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-(4-methoxyphenyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-(4-methoxyphenyl)-5-(2-oxanylmethylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-(4-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[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=CC=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2S/c1-25-17-7-5-16(6-8-17)24-19(15-9-11-21-12-10-15)22-23-20(24)27-14-18-4-2-3-13-26-18/h5-12,18H,2-4,13-14H2,1H3