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

Systemtic Name: 2-[[4-(3-chloranyl-4-methoxy-phenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(3-chloro-4-methoxy-phenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(3-chloro-4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-(3-chloro-4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-(3-chloro-4-methoxy-phenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H15ClN4O2S MolecularWeight: 374.8446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)N)C3=CC=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)N)C3=CC=CC=C3)Cl

InChI

InChI=1S/C17H15ClN4O2S/c1-24-14-8-7-12(9-13(14)18)22-16(11-5-3-2-4-6-11)20-21-17(22)25-10-15(19)23/h2-9H,10H2,1H3,(H2,19,23)