N-[2-[2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl]sulfanylphenyl]ethanamide

Systemtic Name: N-[2-[2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl]sulfanylphenyl]ethanamide Openeye Name: N-[2-[2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl]sulfanylphenyl]acetamide CAS Name: N-[2-[[2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl]thio]phenyl]acetamide IUPAC Name: N-[2-[2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl]sulfanylphenyl]acetamide Traditional Name: N-[2-[[2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl]thio]phenyl]acetamide Formula: C17H14N6O3S MolecularWeight: 382.39646

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1SC2=C(C=C(C=C2)C=NN3C=NN=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=CC=C1SC2=C(C=C(C=C2)/C=N/N3C=NN=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N6O3S/c1-12(24)21-14-4-2-3-5-16(14)27-17-7-6-13(8-15(17)23(25)26)9-20-22-10-18-19-11-22/h2-11H,1H3,(H,21,24)/b20-9+