(2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 4-tert-butylbenzoate

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 4-tert-butylbenzoate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C25H30N2O2S MolecularWeight: 422.5829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C25H30N2O2S/c1-17-21(30-20-11-9-8-10-12-20)22(27(26-17)25(5,6)7)29-23(28)18-13-15-19(16-14-18)24(2,3)4/h8-16H,1-7H3