4-methoxy-3-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzaldehyde

Systemtic Name: 4-methoxy-3-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzaldehyde Openeye Name: 4-methoxy-3-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzaldehyde CAS Name: 4-methoxy-3-[[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzaldehyde IUPAC Name: 4-methoxy-3-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzaldehyde Traditional Name: 4-methoxy-3-[[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]benzaldehyde Formula: C18H17N3O2S MolecularWeight: 339.41148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SCC3=C(C=CC(=C3)C=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SCC3=C(C=CC(=C3)C=O)OC

InChI

InChI=1S/C18H17N3O2S/c1-13-5-3-4-6-16(13)21-12-19-20-18(21)24-11-15-9-14(10-22)7-8-17(15)23-2/h3-10,12H,11H2,1-2H3