3-(7-methoxy-1-benzofuran-2-yl)-5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(7-methoxy-1-benzofuran-2-yl)-5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(7-methoxybenzofuran-2-yl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole CAS Name: 3-(7-methoxy-2-benzofuranyl)-5-(2-phenoxyethylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(7-methoxy-1-benzofuran-2-yl)-5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(7-methoxybenzofuran-2-yl)-5-(2-phenoxyethylthio)-1,2,4-triazole Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C3=NN=C(N3CC=C)SCCOC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C3=NN=C(N3CC=C)SCCOC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O3S/c1-3-12-25-21(19-15-16-8-7-11-18(26-2)20(16)28-19)23-24-22(25)29-14-13-27-17-9-5-4-6-10-17/h3-11,15H,1,12-14H2,2H3