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

Systemtic Name: 3-(4-butoxyphenyl)-4-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazole Openeye Name: 3-allylsulfanyl-5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-(4-butoxyphenyl)-4-phenyl-5-(prop-2-enylthio)-1,2,4-triazole IUPAC Name: 3-(4-butoxyphenyl)-4-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazole Traditional Name: 3-(allylthio)-5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazole Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC=C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC=C

InChI

InChI=1S/C21H23N3OS/c1-3-5-15-25-19-13-11-17(12-14-19)20-22-23-21(26-16-4-2)24(20)18-9-7-6-8-10-18/h4,6-14H,2-3,5,15-16H2,1H3