2-(methylamino)-5-[2-[(4-nitrophenyl)amino]ethyl]-1,3-thiazol-4-one

Systemtic Name: 2-(methylamino)-5-[2-[(4-nitrophenyl)amino]ethyl]-1,3-thiazol-4-one Openeye Name: 2-(methylamino)-5-[2-(4-nitroanilino)ethyl]thiazol-4-one CAS Name: 2-(methylamino)-5-[2-(4-nitroanilino)ethyl]-4-thiazolone IUPAC Name: 2-(methylamino)-5-[2-(4-nitroanilino)ethyl]-1,3-thiazol-4-one Traditional Name: 2-(methylamino)-5-[2-(4-nitroanilino)ethyl]-2-thiazolin-4-one Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=O)C(S1)CCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CNC1=NC(=O)C(S1)CCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O3S/c1-13-12-15-11(17)10(20-12)6-7-14-8-2-4-9(5-3-8)16(18)19/h2-5,10,14H,6-7H2,1H3,(H,13,15,17)