2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C22H26N6O3S2 MolecularWeight: 486.61024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=NN=C3SCCC4=CC=CC=C4)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=NN=C3SCCC4=CC=CC=C4)N

InChI

InChI=1S/C22H26N6O3S2/c23-21-25-26-22(32-15-12-17-6-2-1-3-7-17)28(21)16-20(29)24-18-8-10-19(11-9-18)33(30,31)27-13-4-5-14-27/h1-3,6-11H,4-5,12-16H2,(H2,23,25)(H,24,29)