N-(3-nitrophenyl)-N-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-(3-nitrophenyl)-N-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[2-(benzylamino)-2-oxo-ethyl]-N-(3-nitrophenyl)thiadiazole-4-carboxamide CAS Name: N-(3-nitrophenyl)-N-[2-oxo-2-[(phenylmethyl)amino]ethyl]-4-thiadiazolecarboxamide IUPAC Name: N-[2-(benzylamino)-2-oxoethyl]-N-(3-nitrophenyl)thiadiazole-4-carboxamide Traditional Name: N-[2-(benzylamino)-2-keto-ethyl]-N-(3-nitrophenyl)thiadiazole-4-carboxamide Formula: C18H15N5O4S MolecularWeight: 397.4078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CSN=N3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CSN=N3

InChI

InChI=1S/C18H15N5O4S/c24-17(19-10-13-5-2-1-3-6-13)11-22(18(25)16-12-28-21-20-16)14-7-4-8-15(9-14)23(26)27/h1-9,12H,10-11H2,(H,19,24)