3-[(3S)-3-[[(3S)-5-azanyl-3H-1,2,4-triazol-3-yl]sulfanyl]-4-phenyl-butanoyl]-2-oxidanyl-1-phenyl-quinolin-4-one

Systemtic Name: 3-[(3S)-3-[[(3S)-5-azanyl-3H-1,2,4-triazol-3-yl]sulfanyl]-4-phenyl-butanoyl]-2-oxidanyl-1-phenyl-quinolin-4-one Openeye Name: 3-[(3S)-3-[[(3S)-5-amino-3H-1,2,4-triazol-3-yl]sulfanyl]-4-phenyl-butanoyl]-2-hydroxy-1-phenyl-quinolin-4-one CAS Name: 3-[(3S)-3-[[(3S)-5-amino-3H-1,2,4-triazol-3-yl]thio]-1-oxo-4-phenylbutyl]-2-hydroxy-1-phenyl-4-quinolinone IUPAC Name: 3-[(3S)-3-[[(3S)-5-amino-3H-1,2,4-triazol-3-yl]sulfanyl]-4-phenylbutanoyl]-2-hydroxy-1-phenylquinolin-4-one Traditional Name: 3-[(3S)-3-[[(3S)-5-amino-3H-1,2,4-triazol-3-yl]thio]-4-phenyl-butanoyl]-2-hydroxy-1-phenyl-4-quinolone Formula: C27H23N5O3S MolecularWeight: 497.56822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(=O)C2=C(N(C3=CC=CC=C3C2=O)C4=CC=CC=C4)O)SC5N=C(N=N5)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](CC(=O)C2=C(N(C3=CC=CC=C3C2=O)C4=CC=CC=C4)O)S[C@H]5N=C(N=N5)N

InChI

InChI=1S/C27H23N5O3S/c28-26-29-27(31-30-26)36-19(15-17-9-3-1-4-10-17)16-22(33)23-24(34)20-13-7-8-14-21(20)32(25(23)35)18-11-5-2-6-12-18/h1-14,19,27,35H,15-16H2,(H2,28,29)/t19-,27-/m0/s1