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

Systemtic Name: 4-[[4-(3-chloranyl-4-methoxy-phenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 4-[[4-(3-chloro-4-methoxy-phenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 4-[[4-(3-chloro-4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 4-[[4-(3-chloro-4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 4-[[4-(3-chloro-4-methoxy-phenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NN=C(N1C2=CC(=C(C=C2)OC)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(=O)CCSC1=NN=C(N1C2=CC(=C(C=C2)OC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C19H18ClN3O2S/c1-13(24)10-11-26-19-22-21-18(14-6-4-3-5-7-14)23(19)15-8-9-17(25-2)16(20)12-15/h3-9,12H,10-11H2,1-2H3