N-(3-chloranyl-4-cyano-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C13H12ClN5OS MolecularWeight: 321.78528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)SC2=NN=CN2C

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)SC2=NN=CN2C

InChI

InChI=1S/C13H12ClN5OS/c1-8(21-13-18-16-7-19(13)2)12(20)17-10-4-3-9(6-15)11(14)5-10/h3-5,7-8H,1-2H3,(H,17,20)