N-(3-chloranyl-4-methyl-phenyl)-2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[[4-phenethyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C24H22ClN5OS MolecularWeight: 463.98238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CN=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CN=CC=C4)Cl

InChI

InChI=1S/C24H22ClN5OS/c1-17-9-10-20(14-21(17)25)27-22(31)16-32-24-29-28-23(19-8-5-12-26-15-19)30(24)13-11-18-6-3-2-4-7-18/h2-10,12,14-15H,11,13,16H2,1H3,(H,27,31)