N-butyl-2-[[4-(3-chloranyl-4-methoxy-phenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-butyl-2-[[4-(3-chloranyl-4-methoxy-phenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-butyl-2-[[4-(3-chloro-4-methoxy-phenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-butyl-2-[[4-(3-chloro-4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-butyl-2-[[4-(3-chloro-4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-butyl-2-[[4-(3-chloro-4-methoxy-phenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H23ClN4O2S MolecularWeight: 430.95092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NN=C(N1C2=CC(=C(C=C2)OC)Cl)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)CSC1=NN=C(N1C2=CC(=C(C=C2)OC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H23ClN4O2S/c1-3-4-12-23-19(27)14-29-21-25-24-20(15-8-6-5-7-9-15)26(21)16-10-11-18(28-2)17(22)13-16/h5-11,13H,3-4,12,14H2,1-2H3,(H,23,27)