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

Systemtic Name: N-[4-[3-(2-methanoyl-4-nitro-phenyl)sulfanyl-1H-1,2,4-triazol-5-yl]phenyl]ethanamide Openeye Name: N-[4-[3-(2-formyl-4-nitro-phenyl)sulfanyl-1H-1,2,4-triazol-5-yl]phenyl]acetamide CAS Name: N-[4-[3-[(2-formyl-4-nitrophenyl)thio]-1H-1,2,4-triazol-5-yl]phenyl]acetamide IUPAC Name: N-[4-[3-(2-formyl-4-nitrophenyl)sulfanyl-1H-1,2,4-triazol-5-yl]phenyl]acetamide Traditional Name: N-[4-[3-[(2-formyl-4-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=C(C=C1)C2=NC(=NN2)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O

Isomeric SMILES

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

InChI

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