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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN5OS/c1-7(20-12-17-15-6-18(12)2)11(19)16-10-4-3-8(14)5-9(10)13/h3-7H,14H2,1-2H3,(H,16,19)