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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C20H21ClN4O3S MolecularWeight: 432.92374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C20H21ClN4O3S/c1-13(18(26)22-16-12-15(21)8-9-17(16)28-2)29-20-24-23-19(27)25(20)11-10-14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H,22,26)(H,23,27)