3-(1-benzofuran-2-yl)-5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(1-benzofuran-2-yl)-5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(benzofuran-2-yl)-5-benzylsulfanyl-1,2,4-triazole CAS Name: 3-(2-benzofuranyl)-5-(phenylmethylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(1-benzofuran-2-yl)-5-benzylsulfanyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(benzofuran-2-yl)-5-(benzylthio)-1,2,4-triazole Formula: C20H17N3OS MolecularWeight: 347.43348

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC=C2)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC=C2)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H17N3OS/c1-2-12-23-19(18-13-16-10-6-7-11-17(16)24-18)21-22-20(23)25-14-15-8-4-3-5-9-15/h2-11,13H,1,12,14H2