N-(4-azanyl-2-chloranyl-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide

Systemtic Name: N-(4-azanyl-2-chloranyl-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide Openeye Name: N-(4-amino-2-chloro-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide CAS Name: N-(4-amino-2-chlorophenyl)-4-(1H-1,2,4-triazol-5-ylthio)butanamide IUPAC Name: N-(4-amino-2-chlorophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide Traditional Name: N-(4-amino-2-chloro-phenyl)-4-(1H-1,2,4-triazol-5-ylthio)butyramide Formula: C12H14ClN5OS MolecularWeight: 311.79046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)Cl)NC(=O)CCCSC2=NC=NN2

Isomeric SMILES

C1=CC(=C(C=C1N)Cl)NC(=O)CCCSC2=NC=NN2

InChI

InChI=1S/C12H14ClN5OS/c13-9-6-8(14)3-4-10(9)17-11(19)2-1-5-20-12-15-7-16-18-12/h3-4,6-7H,1-2,5,14H2,(H,17,19)(H,15,16,18)