2-(4-bromophenyl)sulfanyl-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone

Systemtic Name: 2-(4-bromophenyl)sulfanyl-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone Openeye Name: 2-(4-bromophenyl)sulfanyl-1-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]ethanone CAS Name: 2-[(4-bromophenyl)thio]-1-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]ethanone IUPAC Name: 2-(4-bromophenyl)sulfanyl-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone Traditional Name: 2-[(4-bromophenyl)thio]-1-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]ethanone Formula: C18H17BrN2O2S MolecularWeight: 405.30878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H17BrN2O2S/c1-11-8-16(13(3)21(11)18-9-12(2)23-20-18)17(22)10-24-15-6-4-14(19)5-7-15/h4-9H,10H2,1-3H3