N-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]-2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]-2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-[2-(2-chloro-4-nitro-anilino)ethyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-[2-(2-chloro-4-nitroanilino)ethyl]-2-[(6-oxo-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-[2-(2-chloro-4-nitroanilino)ethyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-[2-(2-chloro-4-nitro-anilino)ethyl]-2-[(6-keto-1H-pyrimidin-2-yl)thio]acetamide Formula: C14H14ClN5O4S MolecularWeight: 383.81006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Cl)NCCNC(=O)CSC2=NC=CC(=O)N2

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Cl)NCCNC(=O)CSC2=NC=CC(=O)N2

InChI

InChI=1S/C14H14ClN5O4S/c15-10-7-9(20(23)24)1-2-11(10)16-5-6-17-13(22)8-25-14-18-4-3-12(21)19-14/h1-4,7,16H,5-6,8H2,(H,17,22)(H,18,19,21)