4-(3-methoxypropyl)-3-(2-phenoxyethylsulfanyl)-5-(phenoxymethyl)-1,2,4-triazole

Systemtic Name: 4-(3-methoxypropyl)-3-(2-phenoxyethylsulfanyl)-5-(phenoxymethyl)-1,2,4-triazole Openeye Name: 4-(3-methoxypropyl)-3-(2-phenoxyethylsulfanyl)-5-(phenoxymethyl)-1,2,4-triazole CAS Name: 4-(3-methoxypropyl)-3-(2-phenoxyethylthio)-5-(phenoxymethyl)-1,2,4-triazole IUPAC Name: 4-(3-methoxypropyl)-3-(2-phenoxyethylsulfanyl)-5-(phenoxymethyl)-1,2,4-triazole Traditional Name: 4-(3-methoxypropyl)-3-(2-phenoxyethylthio)-5-(phenoxymethyl)-1,2,4-triazole Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SCCOC2=CC=CC=C2)COC3=CC=CC=C3

Isomeric SMILES

COCCCN1C(=NN=C1SCCOC2=CC=CC=C2)COC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S/c1-25-14-8-13-24-20(17-27-19-11-6-3-7-12-19)22-23-21(24)28-16-15-26-18-9-4-2-5-10-18/h2-7,9-12H,8,13-17H2,1H3