3-(4-chloranyl-2-nitro-5-pyrrol-1-yl-phenyl)sulfanyl-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-(4-chloranyl-2-nitro-5-pyrrol-1-yl-phenyl)sulfanyl-1H-1,2,4-triazol-5-amine Openeye Name: 3-(4-chloro-2-nitro-5-pyrrol-1-yl-phenyl)sulfanyl-1H-1,2,4-triazol-5-amine CAS Name: 3-[[4-chloro-2-nitro-5-(1-pyrrolyl)phenyl]thio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-(4-chloro-2-nitro-5-pyrrol-1-ylphenyl)sulfanyl-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(4-chloro-2-nitro-5-pyrrol-1-yl-phenyl)thio]-1H-1,2,4-triazol-5-yl]amine Formula: C12H9ClN6O2S MolecularWeight: 336.75686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC(=C(C=C2Cl)[N+](=O)[O-])SC3=NNC(=N3)N

Isomeric SMILES

C1=CN(C=C1)C2=CC(=C(C=C2Cl)[N+](=O)[O-])SC3=NNC(=N3)N

InChI

InChI=1S/C12H9ClN6O2S/c13-7-5-9(19(20)21)10(22-12-15-11(14)16-17-12)6-8(7)18-3-1-2-4-18/h1-6H,(H3,14,15,16,17)