N-aminocarbonyl-2-[[4-azanyl-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-aminocarbonyl-2-[[4-azanyl-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-acetamide CAS Name: 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-carbamoylacetamide IUPAC Name: 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoylacetamide Traditional Name: 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-carbamoyl-acetamide Formula: C11H11ClN6O2S MolecularWeight: 326.76204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2=NN=C(N2N)SCC(=O)NC(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2=NN=C(N2N)SCC(=O)NC(=O)N

InChI

InChI=1S/C11H11ClN6O2S/c12-7-3-1-2-6(4-7)9-16-17-11(18(9)14)21-5-8(19)15-10(13)20/h1-4H,5,14H2,(H3,13,15,19,20)