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

Systemtic Name: N-(3-azanyl-4-chloranyl-phenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(3-amino-4-chloro-phenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(3-amino-4-chlorophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(3-amino-4-chlorophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(3-amino-4-chloro-phenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C12H14ClN5OS MolecularWeight: 311.79046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN5OS/c1-18-7-15-17-12(18)20-5-4-11(19)16-8-2-3-9(13)10(14)6-8/h2-3,6-7H,4-5,14H2,1H3,(H,16,19)