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

Systemtic Name: 4-phenyl-3-prop-2-enylsulfanyl-5-(4-propoxyphenyl)-1,2,4-triazole Openeye Name: 3-allylsulfanyl-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole CAS Name: 4-phenyl-3-(prop-2-enylthio)-5-(4-propoxyphenyl)-1,2,4-triazole IUPAC Name: 4-phenyl-3-prop-2-enylsulfanyl-5-(4-propoxyphenyl)-1,2,4-triazole Traditional Name: 3-(allylthio)-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC=C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC=C

InChI

InChI=1S/C20H21N3OS/c1-3-14-24-18-12-10-16(11-13-18)19-21-22-20(25-15-4-2)23(19)17-8-6-5-7-9-17/h4-13H,2-3,14-15H2,1H3