2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O3S2/c1-25-20(16-7-3-2-4-8-16)23-24-21(25)30-15-19(27)22-17-9-11-18(12-10-17)31(28,29)26-13-5-6-14-26/h2-4,7-12H,5-6,13-15H2,1H3,(H,22,27)