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

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]acetamide CAS Name: N-(2-chloro-4-methylphenyl)-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]acetamide IUPAC Name: N-(2-chloro-4-methylphenyl)-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]acetamide Formula: C23H21ClN4OS MolecularWeight: 436.95704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4)Cl

InChI

InChI=1S/C23H21ClN4OS/c1-17-9-10-21(20(24)13-17)26-22(29)16-30-15-18-14-25-28(19-7-3-2-4-8-19)23(18)27-11-5-6-12-27/h2-14H,15-16H2,1H3,(H,26,29)