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

Systemtic Name: 4-methoxy-3-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzaldehyde Openeye Name: 4-methoxy-3-[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzaldehyde CAS Name: 4-methoxy-3-[[[4-(3-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]benzaldehyde IUPAC Name: 4-methoxy-3-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzaldehyde Traditional Name: 4-methoxy-3-[[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]methyl]benzaldehyde Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=C(C=CC(=C3)C=O)OC)N4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=C(C=CC(=C3)C=O)OC)N4CCOCC4

InChI

InChI=1S/C22H24N4O3S/c1-16-4-3-5-19(12-16)26-21(25-8-10-29-11-9-25)23-24-22(26)30-15-18-13-17(14-27)6-7-20(18)28-2/h3-7,12-14H,8-11,15H2,1-2H3