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

Systemtic Name: N-[3-[4-ethyl-5-(2-methanoyl-4-nitro-phenyl)sulfanyl-1,2,4-triazol-3-yl]phenyl]ethanamide Openeye Name: N-[3-[4-ethyl-5-(2-formyl-4-nitro-phenyl)sulfanyl-1,2,4-triazol-3-yl]phenyl]acetamide CAS Name: N-[3-[4-ethyl-5-[(2-formyl-4-nitrophenyl)thio]-1,2,4-triazol-3-yl]phenyl]acetamide IUPAC Name: N-[3-[4-ethyl-5-(2-formyl-4-nitrophenyl)sulfanyl-1,2,4-triazol-3-yl]phenyl]acetamide Traditional Name: N-[3-[4-ethyl-5-[(2-formyl-4-nitro-phenyl)thio]-1,2,4-triazol-3-yl]phenyl]acetamide Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C=O)C3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

CCN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C=O)C3=CC(=CC=C3)NC(=O)C

InChI

InChI=1S/C19H17N5O4S/c1-3-23-18(13-5-4-6-15(9-13)20-12(2)26)21-22-19(23)29-17-8-7-16(24(27)28)10-14(17)11-25/h4-11H,3H2,1-2H3,(H,20,26)