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

Systemtic Name: 3,3-dimethyl-1-[[5-(3-morpholin-4-ylsulfonylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 1-[[4-allyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 3,3-dimethyl-1-[[5-[3-(4-morpholinylsulfonyl)phenyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[[5-(3-morpholin-4-ylsulfonylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 1-[[4-allyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C21H28N4O4S2 MolecularWeight: 464.60142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4S2/c1-5-9-25-19(22-23-20(25)30-15-18(26)21(2,3)4)16-7-6-8-17(14-16)31(27,28)24-10-12-29-13-11-24/h5-8,14H,1,9-13,15H2,2-4H3