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

Systemtic Name: 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-butan-1-one Openeye Name: 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-butan-1-one CAS Name: 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)-1-butanone IUPAC Name: 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylbutan-1-one Traditional Name: 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-butan-1-one Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O3S/c28-20(25-14-4-5-15-25)9-6-16-31-22-24-23-21(26(22)18-7-2-1-3-8-18)17-10-12-19(13-11-17)27(29)30/h1-3,7-8,10-13H,4-6,9,14-16H2