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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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