1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanone

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanone Openeye Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[[4-(1-pyrazolyl)phenyl]methylthio]ethanone IUPAC Name: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[(4-pyrazol-1-ylbenzyl)thio]ethanone Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CSCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CSCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H23N3OS/c1-15-12-20(16(2)24(15)19-8-9-19)21(25)14-26-13-17-4-6-18(7-5-17)23-11-3-10-22-23/h3-7,10-12,19H,8-9,13-14H2,1-2H3