4-methoxy-3-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzaldehyde

Systemtic Name: 4-methoxy-3-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzaldehyde Openeye Name: 4-methoxy-3-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzaldehyde CAS Name: 4-methoxy-3-[[[5-(2-methyl-3-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzaldehyde IUPAC Name: 4-methoxy-3-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzaldehyde Traditional Name: 4-methoxy-3-[[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzaldehyde Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC(=C4)C=O)OC

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC(=C4)C=O)OC

InChI

InChI=1S/C22H19N3O3S/c1-15-19(10-11-28-15)21-23-24-22(25(21)18-6-4-3-5-7-18)29-14-17-12-16(13-26)8-9-20(17)27-2/h3-13H,14H2,1-2H3