2-(4-tert-butylphenyl)sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-(4-tert-butylphenyl)sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-(4-tert-butylphenyl)sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone CAS Name: 2-[(4-tert-butylphenyl)thio]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone IUPAC Name: 2-(4-tert-butylphenyl)sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone Traditional Name: 2-[(4-tert-butylphenyl)thio]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone Formula: C18H23NOS MolecularWeight: 301.44632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)CSC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)CSC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C18H23NOS/c1-12-10-16(13(2)19-12)17(20)11-21-15-8-6-14(7-9-15)18(3,4)5/h6-10,19H,11H2,1-5H3