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

Systemtic Name: methyl 4-[[5-morpholin-4-yl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[(4-benzyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[[5-(4-morpholinyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-benzyl-5-morpholino-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:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C22H24N4O3S/c1-28-20(27)19-9-7-18(8-10-19)16-30-22-24-23-21(25-11-13-29-14-12-25)26(22)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3