5-(4-chloranyl-1-methyl-pyrazol-3-yl)-N-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-(4-chloranyl-1-methyl-pyrazol-3-yl)-N-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-(4-chloro-1-methyl-pyrazol-3-yl)-N-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-(4-chloro-1-methyl-3-pyrazolyl)-N-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(4-chloro-1-methylpyrazol-3-yl)-N-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-(4-chloro-1-methyl-pyrazol-3-yl)-1,3,4-thiadiazol-2-yl]-(4-nitrophenyl)amine Formula: C12H9ClN6O2S MolecularWeight: 336.75686

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=NN=C(S2)NC3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CN1C=C(C(=N1)C2=NN=C(S2)NC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H9ClN6O2S/c1-18-6-9(13)10(17-18)11-15-16-12(22-11)14-7-2-4-8(5-3-7)19(20)21/h2-6H,1H3,(H,14,16)