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

Systemtic Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C23H25N5O3S2 MolecularWeight: 483.6063

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5CC5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C23H25N5O3S2/c29-21(24-18-10-12-20(13-11-18)33(30,31)27-14-4-5-15-27)16-32-23-26-25-22(17-8-9-17)28(23)19-6-2-1-3-7-19/h1-3,6-7,10-13,17H,4-5,8-9,14-16H2,(H,24,29)