4-(furan-2-ylmethyl)-3-(phenoxymethyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-(furan-2-ylmethyl)-3-(phenoxymethyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole Openeye Name: 3-cinnamylsulfanyl-4-(2-furylmethyl)-5-(phenoxymethyl)-1,2,4-triazole CAS Name: 4-(2-furanylmethyl)-3-(phenoxymethyl)-5-(3-phenylprop-2-enylthio)-1,2,4-triazole IUPAC Name: 4-(furan-2-ylmethyl)-3-(phenoxymethyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole Traditional Name: 3-(cinnamylthio)-4-(2-furfuryl)-5-(phenoxymethyl)-1,2,4-triazole Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCSC2=NN=C(N2CC3=CC=CO3)COC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C=CCSC2=NN=C(N2CC3=CC=CO3)COC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O2S/c1-3-9-19(10-4-1)11-8-16-29-23-25-24-22(18-28-20-12-5-2-6-13-20)26(23)17-21-14-7-15-27-21/h1-15H,16-18H2