N-(3-chloranyl-2,6-diethyl-phenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-2,6-diethyl-phenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-2,6-diethyl-phenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-chloro-2,6-diethylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-chloro-2,6-diethylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-2,6-diethyl-phenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C20H21ClN4OS/c1-3-14-10-11-17(21)16(4-2)19(14)23-18(26)12-27-20-22-13-25(24-20)15-8-6-5-7-9-15/h5-11,13H,3-4,12H2,1-2H3,(H,23,26)