3-[[5-[(2-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-benzaldehyde

Systemtic Name: 3-[[5-[(2-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-benzaldehyde Openeye Name: 3-[[4-allyl-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-benzaldehyde CAS Name: 3-[[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-4-methoxybenzaldehyde IUPAC Name: 3-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxybenzaldehyde Traditional Name: 3-[[[4-allyl-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-4-methoxy-benzaldehyde Formula: C21H20FN3O3S MolecularWeight: 413.465203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=O)CSC2=NN=C(N2CC=C)COC3=CC=CC=C3F

Isomeric SMILES

COC1=C(C=C(C=C1)C=O)CSC2=NN=C(N2CC=C)COC3=CC=CC=C3F

InChI

InChI=1S/C21H20FN3O3S/c1-3-10-25-20(13-28-19-7-5-4-6-17(19)22)23-24-21(25)29-14-16-11-15(12-26)8-9-18(16)27-2/h3-9,11-12H,1,10,13-14H2,2H3