N-[1-(4-chlorophenyl)-4-(phenylsulfinyl)but-2-ynyl]-4-methyl-benzamide

Systemtic Name: N-[1-(4-chlorophenyl)-4-(phenylsulfinyl)but-2-ynyl]-4-methyl-benzamide Openeye Name: N-[4-(benzenesulfinyl)-1-(4-chlorophenyl)but-2-ynyl]-4-methyl-benzamide CAS Name: N-[4-(benzenesulfinyl)-1-(4-chlorophenyl)but-2-ynyl]-4-methylbenzamide IUPAC Name: N-[4-(benzenesulfinyl)-1-(4-chlorophenyl)but-2-ynyl]-4-methylbenzamide Traditional Name: N-[4-(benzenesulfinyl)-1-(4-chlorophenyl)but-2-ynyl]-4-methyl-benzamide Formula: C24H20ClNO2S MolecularWeight: 421.9391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C#CCS(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C#CCS(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H20ClNO2S/c1-18-9-11-20(12-10-18)24(27)26-23(19-13-15-21(25)16-14-19)8-5-17-29(28)22-6-3-2-4-7-22/h2-4,6-7,9-16,23H,17H2,1H3,(H,26,27)