3-[4-methyl-5-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-methyl-5-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-methyl-5-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-methyl-5-[[2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-methyl-5-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C18H24N6O4S2 MolecularWeight: 452.55096

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)CCC(=O)N

InChI

InChI=1S/C18H24N6O4S2/c1-23-16(8-7-15(19)25)21-22-18(23)29-12-17(26)20-13-5-4-6-14(11-13)30(27,28)24-9-2-3-10-24/h4-6,11H,2-3,7-10,12H2,1H3,(H2,19,25)(H,20,26)