N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]-2-(2,3,4-trimethoxyphenyl)ethanamide

Systemtic Name: N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]-2-(2,3,4-trimethoxyphenyl)ethanamide Openeye Name: N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]-2-(2,3,4-trimethoxyphenyl)acetamide CAS Name: N-[1-[(phenylthio)methyl]-4-pyrazolyl]-2-(2,3,4-trimethoxyphenyl)acetamide IUPAC Name: N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]-2-(2,3,4-trimethoxyphenyl)acetamide Traditional Name: N-[1-[(phenylthio)methyl]pyrazol-4-yl]-2-(2,3,4-trimethoxyphenyl)acetamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CC(=O)NC2=CN(N=C2)CSC3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CC(=O)NC2=CN(N=C2)CSC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C21H23N3O4S/c1-26-18-10-9-15(20(27-2)21(18)28-3)11-19(25)23-16-12-22-24(13-16)14-29-17-7-5-4-6-8-17/h4-10,12-13H,11,14H2,1-3H3,(H,23,25)