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

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-phenyl-2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-[[4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-[[4-phenyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C29H28N6O3S2 MolecularWeight: 572.70102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)N(CCC#N)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)N(CCC#N)C5=CC=CC=C5

InChI

InChI=1S/C29H28N6O3S2/c30-17-10-20-34(24-12-3-1-4-13-24)27(36)22-39-29-32-31-28(35(29)25-14-5-2-6-15-25)23-11-9-16-26(21-23)40(37,38)33-18-7-8-19-33/h1-6,9,11-16,21H,7-8,10,18-20,22H2