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

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C16H12ClN5O3S MolecularWeight: 389.81618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SCC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SCC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3

InChI

InChI=1S/C16H12ClN5O3S/c17-11-1-6-15(21-10-18-9-19-21)14(7-11)20-16(23)8-26-13-4-2-12(3-5-13)22(24)25/h1-7,9-10H,8H2,(H,20,23)