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

Systemtic Name: 3-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-benzaldehyde Openeye Name: 3-[[4-(3,4-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-benzaldehyde CAS Name: 3-[[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-4-methoxybenzaldehyde IUPAC Name: 3-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxybenzaldehyde Traditional Name: 3-[[[4-(3,4-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methoxy-benzaldehyde Formula: C24H22N4O2S MolecularWeight: 430.52208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=C(C=CC(=C3)C=O)OC)C4=CC=NC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=C(C=CC(=C3)C=O)OC)C4=CC=NC=C4)C

InChI

InChI=1S/C24H22N4O2S/c1-16-4-6-21(12-17(16)2)28-23(19-8-10-25-11-9-19)26-27-24(28)31-15-20-13-18(14-29)5-7-22(20)30-3/h4-14H,15H2,1-3H3