N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-4-ethanoyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-4-ethanoyl-1H-pyrrole-2-carboxamide Openeye Name: 4-acetyl-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1H-pyrrole-2-carboxamide CAS Name: 4-acetyl-N-[4-[(3,4-dimethylphenyl)thio]phenyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-acetyl-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1H-pyrrole-2-carboxamide Traditional Name: 4-acetyl-N-[4-[(3,4-dimethylphenyl)thio]phenyl]-1H-pyrrole-2-carboxamide Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3=CC(=CN3)C(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3=CC(=CN3)C(=O)C)C

InChI

InChI=1S/C21H20N2O2S/c1-13-4-7-19(10-14(13)2)26-18-8-5-17(6-9-18)23-21(25)20-11-16(12-22-20)15(3)24/h4-12,22H,1-3H3,(H,23,25)