4-butyl-3-(4-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-butyl-3-(4-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 4-butyl-3-(4-methoxyphenyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-butyl-3-(4-methoxyphenyl)-5-(2-oxanylmethylthio)-1,2,4-triazole IUPAC Name: 4-butyl-3-(4-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 4-butyl-3-(4-methoxyphenyl)-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC2CCCCO2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC2CCCCO2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H27N3O2S/c1-3-4-12-22-18(15-8-10-16(23-2)11-9-15)20-21-19(22)25-14-17-7-5-6-13-24-17/h8-11,17H,3-7,12-14H2,1-2H3