5-(4-butoxyphenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-(4-butoxyphenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole Openeye Name: 3-allylsulfanyl-5-(4-butoxyphenyl)-1H-1,2,4-triazole CAS Name: 5-(4-butoxyphenyl)-3-(prop-2-enylthio)-1H-1,2,4-triazole IUPAC Name: 5-(4-butoxyphenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole Traditional Name: 3-(allylthio)-5-(4-butoxyphenyl)-1H-1,2,4-triazole Formula: C15H19N3OS MolecularWeight: 289.39586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC(=NN2)SCC=C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC(=NN2)SCC=C

InChI

InChI=1S/C15H19N3OS/c1-3-5-10-19-13-8-6-12(7-9-13)14-16-15(18-17-14)20-11-4-2/h4,6-9H,2-3,5,10-11H2,1H3,(H,16,17,18)