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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN4OS/c1-8(20-13-16-5-6-18(13)2)12(19)17-9-3-4-10(14)11(15)7-9/h3-8H,15H2,1-2H3,(H,17,19)