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

Systemtic Name: 3-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-benzaldehyde Openeye Name: 3-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-benzaldehyde CAS Name: 3-[[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methoxybenzaldehyde IUPAC Name: 3-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxybenzaldehyde Traditional Name: 3-[[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methoxy-benzaldehyde Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=NN=C2SCC3=C(C=CC(=C3)C=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=NN=C2SCC3=C(C=CC(=C3)C=O)OC)C

InChI

InChI=1S/C19H19N3O2S/c1-13-4-6-17(14(2)8-13)22-12-20-21-19(22)25-11-16-9-15(10-23)5-7-18(16)24-3/h4-10,12H,11H2,1-3H3