N-(3-chloranyl-4-methyl-phenyl)-2-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C23H19ClN4OS MolecularWeight: 434.94116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=CN3C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=CN3C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H19ClN4OS/c1-16-12-13-18(14-20(16)24)26-22(29)21(17-8-4-2-5-9-17)30-23-27-25-15-28(23)19-10-6-3-7-11-19/h2-15,21H,1H3,(H,26,29)