2-(phenylmethylsulfanyl)-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,3,4-oxadiazole

Systemtic Name: 2-(phenylmethylsulfanyl)-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,3,4-oxadiazole Openeye Name: 2-benzylsulfanyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,3,4-oxadiazole CAS Name: 2-(phenylmethylthio)-5-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]-1,3,4-oxadiazole IUPAC Name: 2-benzylsulfanyl-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,3,4-oxadiazole Traditional Name: 2-(benzylthio)-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,3,4-oxadiazole Formula: C22H17N5OS MolecularWeight: 399.46828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(O2)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(O2)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C22H17N5OS/c1-3-9-17(10-4-1)16-29-22-25-24-20(28-22)19-15-23-27(18-11-5-2-6-12-18)21(19)26-13-7-8-14-26/h1-15H,16H2