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

Systemtic Name: 4-butyl-3-(4-methoxyphenyl)-5-(2-methylpropylsulfanyl)-1,2,4-triazole Openeye Name: 4-butyl-3-isobutylsulfanyl-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 4-butyl-3-(4-methoxyphenyl)-5-(2-methylpropylthio)-1,2,4-triazole IUPAC Name: 4-butyl-3-(4-methoxyphenyl)-5-(2-methylpropylsulfanyl)-1,2,4-triazole Traditional Name: 4-butyl-3-(isobutylthio)-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C17H25N3OS MolecularWeight: 319.4649

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(C)C)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC(C)C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H25N3OS/c1-5-6-11-20-16(14-7-9-15(21-4)10-8-14)18-19-17(20)22-12-13(2)3/h7-10,13H,5-6,11-12H2,1-4H3