1-[(4-tert-butylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-tert-butylphenoxy)methyl]-N-[2-(phenylthio)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-tert-butylphenoxy)methyl]-N-[2-(phenylthio)phenyl]pyrazole-3-carboxamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCN2C=CC(=N2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCN2C=CC(=N2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O2S/c1-27(2,3)20-13-15-21(16-14-20)32-19-30-18-17-24(29-30)26(31)28-23-11-7-8-12-25(23)33-22-9-5-4-6-10-22/h4-18H,19H2,1-3H3,(H,28,31)