N-(3-azanyl-4-chloranyl-phenyl)-3-(1-methylimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: N-(3-azanyl-4-chloranyl-phenyl)-3-(1-methylimidazol-2-yl)sulfanyl-propanamide Openeye Name: N-(3-amino-4-chloro-phenyl)-3-(1-methylimidazol-2-yl)sulfanyl-propanamide CAS Name: N-(3-amino-4-chlorophenyl)-3-[(1-methyl-2-imidazolyl)thio]propanamide IUPAC Name: N-(3-amino-4-chlorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpropanamide Traditional Name: N-(3-amino-4-chloro-phenyl)-3-[(1-methylimidazol-2-yl)thio]propionamide Formula: C13H15ClN4OS MolecularWeight: 310.8024

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCC(=O)NC2=CC(=C(C=C2)Cl)N

Isomeric SMILES

CN1C=CN=C1SCCC(=O)NC2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C13H15ClN4OS/c1-18-6-5-16-13(18)20-7-4-12(19)17-9-2-3-10(14)11(15)8-9/h2-3,5-6,8H,4,7,15H2,1H3,(H,17,19)