1-[[5-(3-morpholin-4-ylsulfonylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[5-(3-morpholin-4-ylsulfonylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-allyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-[3-(4-morpholinylsulfonyl)phenyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[5-(3-morpholin-4-ylsulfonylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-allyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C18H22N4O4S2 MolecularWeight: 422.52168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1CC=C)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(=O)CSC1=NN=C(N1CC=C)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H22N4O4S2/c1-3-7-22-17(19-20-18(22)27-13-14(2)23)15-5-4-6-16(12-15)28(24,25)21-8-10-26-11-9-21/h3-6,12H,1,7-11,13H2,2H3