N-[3-[3-(4-methanoyl-2-nitro-phenyl)sulfanyl-1H-1,2,4-triazol-5-yl]phenyl]ethanamide

Systemtic Name: N-[3-[3-(4-methanoyl-2-nitro-phenyl)sulfanyl-1H-1,2,4-triazol-5-yl]phenyl]ethanamide Openeye Name: N-[3-[3-(4-formyl-2-nitro-phenyl)sulfanyl-1H-1,2,4-triazol-5-yl]phenyl]acetamide CAS Name: N-[3-[3-[(4-formyl-2-nitrophenyl)thio]-1H-1,2,4-triazol-5-yl]phenyl]acetamide IUPAC Name: N-[3-[3-(4-formyl-2-nitrophenyl)sulfanyl-1H-1,2,4-triazol-5-yl]phenyl]acetamide Traditional Name: N-[3-[3-[(4-formyl-2-nitro-phenyl)thio]-1H-1,2,4-triazol-5-yl]phenyl]acetamide Formula: C17H13N5O4S MolecularWeight: 383.38122

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C2=NC(=NN2)SC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C2=NC(=NN2)SC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O4S/c1-10(24)18-13-4-2-3-12(8-13)16-19-17(21-20-16)27-15-6-5-11(9-23)7-14(15)22(25)26/h2-9H,1H3,(H,18,24)(H,19,20,21)