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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-phenyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-phenyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-phenyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]-2-phenyl-acetamide Formula: C20H21ClN4OS MolecularWeight: 400.92494

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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=CN3C(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=CN3C(C)C)Cl

InChI

InChI=1S/C20H21ClN4OS/c1-13(2)25-12-22-24-20(25)27-18(15-7-5-4-6-8-15)19(26)23-16-10-9-14(3)17(21)11-16/h4-13,18H,1-3H3,(H,23,26)