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

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-3-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(3-chloro-4-cyanophenyl)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-3-[(4-isopropyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C15H16ClN5OS MolecularWeight: 349.83844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCCC(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

CC(C)N1C=NN=C1SCCC(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C15H16ClN5OS/c1-10(2)21-9-18-20-15(21)23-6-5-14(22)19-12-4-3-11(8-17)13(16)7-12/h3-4,7,9-10H,5-6H2,1-2H3,(H,19,22)