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

Systemtic Name: 3-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-benzaldehyde Openeye Name: 3-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-benzaldehyde CAS Name: 3-[[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-4-methoxybenzaldehyde IUPAC Name: 3-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxybenzaldehyde Traditional Name: 3-[[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-4-methoxy-benzaldehyde Formula: C18H16ClN3O2S MolecularWeight: 373.85654

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(C=CC(=C2)C=O)OC)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=NN=C1SCC2=C(C=CC(=C2)C=O)OC)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN3O2S/c1-22-17(13-4-6-15(19)7-5-13)20-21-18(22)25-11-14-9-12(10-23)3-8-16(14)24-2/h3-10H,11H2,1-2H3