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

Systemtic Name: 2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C17H14ClN3O2S MolecularWeight: 359.82996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H14ClN3O2S/c1-23-15-8-7-12(18)9-13(15)16-19-17(21-20-16)24-10-14(22)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,19,20,21)