N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-hydroxyethylsulfanyl)ethanamide

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-hydroxyethylsulfanyl)ethanamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-hydroxyethylsulfanyl)acetamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-hydroxyethylthio)acetamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-hydroxyethylsulfanyl)acetamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-hydroxyethylthio)acetamide Formula: C12H13ClN4O2S MolecularWeight: 312.77522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)NC(=O)CSCCO)N2C=NC=N2

Isomeric SMILES

C1=CC(=C(C=C1Cl)NC(=O)CSCCO)N2C=NC=N2

InChI

InChI=1S/C12H13ClN4O2S/c13-9-1-2-11(17-8-14-7-15-17)10(5-9)16-12(19)6-20-4-3-18/h1-2,5,7-8,18H,3-4,6H2,(H,16,19)