3-(1-benzofuran-2-yl)-5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(1-benzofuran-2-yl)-5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(benzofuran-2-yl)-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(2-benzofuranyl)-5-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(1-benzofuran-2-yl)-5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(benzofuran-2-yl)-5-[(4-methylbenzyl)thio]-1,2,4-triazole Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H19N3OS/c1-3-12-24-20(19-13-17-6-4-5-7-18(17)25-19)22-23-21(24)26-14-16-10-8-15(2)9-11-16/h3-11,13H,1,12,14H2,2H3