N-(4-methoxyphenyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanamide

Systemtic Name: N-(4-methoxyphenyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanamide Openeye Name: N-(4-methoxyphenyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]acetamide CAS Name: N-(4-methoxyphenyl)-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]acetamide IUPAC Name: N-(4-methoxyphenyl)-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide Traditional Name: N-(4-methoxyphenyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]acetamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C23H22N4O2S/c1-29-21-11-9-19(10-12-21)25-22(28)17-30-16-18-15-24-27(20-7-3-2-4-8-20)23(18)26-13-5-6-14-26/h2-15H,16-17H2,1H3,(H,25,28)