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

Systemtic Name: 1-[3-[2-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]pyrrolidin-2-one Openeye Name: 1-[3-[2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one CAS Name: 1-[3-[2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[3-[2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[3-[2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]phenyl]-2-pyrrolidone Formula: C20H19N5O2S MolecularWeight: 393.46216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)CSC3=NN=C(N3N)C4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)CSC3=NN=C(N3N)C4=CC=CC=C4

InChI

InChI=1S/C20H19N5O2S/c21-25-19(14-6-2-1-3-7-14)22-23-20(25)28-13-17(26)15-8-4-9-16(12-15)24-11-5-10-18(24)27/h1-4,6-9,12H,5,10-11,13,21H2