N-(4-chloranyl-2-nitro-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-chloranyl-2-nitro-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-chloro-2-nitro-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-chloro-2-nitrophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-chloro-2-nitrophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-chloro-2-nitro-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C16H12ClN5O3S MolecularWeight: 389.81618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

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