1-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]pyrrolidin-2-one

Systemtic Name: 1-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]pyrrolidin-2-one Openeye Name: 1-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one CAS Name: 1-[4-[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]phenyl]-2-pyrrolidone Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4O2S/c25-17(14-8-10-16(11-9-14)24-12-4-7-18(24)26)13-27-20-21-19(22-23-20)15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-13H2,(H,21,22,23)