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

Systemtic Name: N-butan-2-yl-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[5-[3-(4-morpholinylsulfonyl)phenyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-butan-2-yl-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]-N-sec-butyl-acetamide Formula: C21H29N5O4S2 MolecularWeight: 479.61606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O4S2/c1-4-9-26-20(23-24-21(26)31-15-19(27)22-16(3)5-2)17-7-6-8-18(14-17)32(28,29)25-10-12-30-13-11-25/h4,6-8,14,16H,1,5,9-13,15H2,2-3H3,(H,22,27)