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

Systemtic Name: 4-methoxy-3-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzaldehyde Openeye Name: 4-methoxy-3-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzaldehyde CAS Name: 4-methoxy-3-[[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]benzaldehyde IUPAC Name: 4-methoxy-3-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzaldehyde Traditional Name: 4-methoxy-3-[[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]methyl]benzaldehyde Formula: C22H24N4O2S MolecularWeight: 408.51656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C22H24N4O2S/c1-28-20-11-10-17(15-27)14-18(20)16-29-22-24-23-21(25-12-6-3-7-13-25)26(22)19-8-4-2-5-9-19/h2,4-5,8-11,14-15H,3,6-7,12-13,16H2,1H3