5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]-phenyl-amine Formula: C14H14N6O2S MolecularWeight: 330.36496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=NN=C(S2)NC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=NN=C(S2)NC3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C14H14N6O2S/c1-9-13(20(21)22)10(2)19(18-9)8-12-16-17-14(23-12)15-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,15,17)