5-(octadecylamino)-2-phenyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1H-pyrazol-3-one

Systemtic Name: 5-(octadecylamino)-2-phenyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1H-pyrazol-3-one Openeye Name: 5-(octadecylamino)-2-phenyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1H-pyrazol-3-one CAS Name: 5-(octadecylamino)-2-phenyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]-1H-pyrazol-3-one IUPAC Name: 5-(octadecylamino)-2-phenyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1H-pyrazol-3-one Traditional Name: 2-phenyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]-5-(stearylamino)-3-pyrazolin-3-one Formula: C35H49N5O2S MolecularWeight: 603.86086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=C(C(=O)N(N1)C2=CC=CC=C2)SC3=NN=C(O3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=C(C(=O)N(N1)C2=CC=CC=C2)SC3=NN=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C35H49N5O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-36-32-31(34(41)40(39-32)30-26-21-18-22-27-30)43-35-38-37-33(42-35)29-24-19-17-20-25-29/h17-22,24-27,36,39H,2-16,23,28H2,1H3