4-(5-methyl-2,7-diphenyl-pyrazolo[1,5-a]pyrimidin-3-yl)but-3-ynyl 4-methylbenzenesulfonate

Systemtic Name: 4-(5-methyl-2,7-diphenyl-pyrazolo[1,5-a]pyrimidin-3-yl)but-3-ynyl 4-methylbenzenesulfonate Openeye Name: 4-(5-methyl-2,7-diphenyl-pyrazolo[1,5-a]pyrimidin-3-yl)but-3-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-(5-methyl-2,7-diphenyl-3-pyrazolo[1,5-a]pyrimidinyl)but-3-ynyl ester IUPAC Name: 4-(5-methyl-2,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)but-3-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-(5-methyl-2,7-diphenyl-pyrazolo[1,5-a]pyrimidin-3-yl)but-3-ynyl ester Formula: C30H25N3O3S MolecularWeight: 507.6028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC#CC2=C3N=C(C=C(N3N=C2C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC#CC2=C3N=C(C=C(N3N=C2C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C30H25N3O3S/c1-22-16-18-26(19-17-22)37(34,35)36-20-10-9-15-27-29(25-13-7-4-8-14-25)32-33-28(21-23(2)31-30(27)33)24-11-5-3-6-12-24/h3-8,11-14,16-19,21H,10,20H2,1-2H3