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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C18H17ClN4O2S MolecularWeight: 388.87118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)SC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)SC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H17ClN4O2S/c1-11(17(24)20-14-10-13(19)8-9-15(14)25-2)26-18-21-16(22-23-18)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,20,24)(H,21,22,23)