3-(7-methoxy-1-benzofuran-2-yl)-5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(7-methoxy-1-benzofuran-2-yl)-5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(7-methoxybenzofuran-2-yl)-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(7-methoxy-2-benzofuranyl)-5-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(7-methoxy-1-benzofuran-2-yl)-5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(7-methoxybenzofuran-2-yl)-5-[(4-methylbenzyl)thio]-1,2,4-triazole Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC4=C(O3)C(=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC4=C(O3)C(=CC=C4)OC

InChI

InChI=1S/C22H21N3O2S/c1-4-12-25-21(19-13-17-6-5-7-18(26-3)20(17)27-19)23-24-22(25)28-14-16-10-8-15(2)9-11-16/h4-11,13H,1,12,14H2,2-3H3