N-[3-[4-(3-methylphenyl)-5-[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide

Systemtic Name: N-[3-[4-(3-methylphenyl)-5-[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide Openeye Name: N-[3-[5-[2-(4-morpholinosulfonylphenyl)-2-oxo-ethyl]sulfanyl-4-(m-tolyl)-1,2,4-triazol-3-yl]propyl]acetamide CAS Name: N-[3-[4-(3-methylphenyl)-5-[[2-[4-(4-morpholinylsulfonyl)phenyl]-2-oxoethyl]thio]-1,2,4-triazol-3-yl]propyl]acetamide IUPAC Name: N-[3-[4-(3-methylphenyl)-5-[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]acetamide Traditional Name: N-[3-[5-[[2-keto-2-(4-morpholinosulfonylphenyl)ethyl]thio]-4-(m-tolyl)-1,2,4-triazol-3-yl]propyl]acetamide Formula: C26H31N5O5S2 MolecularWeight: 557.68484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)CCCNC(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)CCCNC(=O)C

InChI

InChI=1S/C26H31N5O5S2/c1-19-5-3-6-22(17-19)31-25(7-4-12-27-20(2)32)28-29-26(31)37-18-24(33)21-8-10-23(11-9-21)38(34,35)30-13-15-36-16-14-30/h3,5-6,8-11,17H,4,7,12-16,18H2,1-2H3,(H,27,32)