2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]ethanamide

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-chloro-4-nitro-anilino)propyl]acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[3-(2-chloro-4-nitro-anilino)propyl]acetamide Formula: C13H16ClN7O3S MolecularWeight: 385.82924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Cl)NCCCNC(=O)CSC2=NNC(=N2)N

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Cl)NCCCNC(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C13H16ClN7O3S/c14-9-6-8(21(23)24)2-3-10(9)16-4-1-5-17-11(22)7-25-13-18-12(15)19-20-13/h2-3,6,16H,1,4-5,7H2,(H,17,22)(H3,15,18,19,20)