2-[4-[2-(4-methoxyphenyl)-5-methylsulfanyl-pyrazol-3-yl]phenoxy]ethylcarbamic acid

Systemtic Name: 2-[4-[2-(4-methoxyphenyl)-5-methylsulfanyl-pyrazol-3-yl]phenoxy]ethylcarbamic acid Openeye Name: 2-[4-[2-(4-methoxyphenyl)-5-methylsulfanyl-pyrazol-3-yl]phenoxy]ethylcarbamic acid CAS Name: 2-[4-[2-(4-methoxyphenyl)-5-(methylthio)-3-pyrazolyl]phenoxy]ethylcarbamic acid IUPAC Name: 2-[4-[2-(4-methoxyphenyl)-5-methylsulfanylpyrazol-3-yl]phenoxy]ethylcarbamic acid Traditional Name: 2-[4-[2-(4-methoxyphenyl)-5-(methylthio)pyrazol-3-yl]phenoxy]ethylcarbamic acid Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=CC(=N2)SC)C3=CC=C(C=C3)OCCNC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=CC(=N2)SC)C3=CC=C(C=C3)OCCNC(=O)O

InChI

InChI=1S/C20H21N3O4S/c1-26-16-9-5-15(6-10-16)23-18(13-19(22-23)28-2)14-3-7-17(8-4-14)27-12-11-21-20(24)25/h3-10,13,21H,11-12H2,1-2H3,(H,24,25)