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

Systemtic Name: 5-(1,5-dimethyl-4-nitro-pyrazol-3-yl)-N-[1-(phenylmethyl)pyrazol-3-yl]-1,3,4-thiadiazol-2-amine Openeye Name: N-(1-benzylpyrazol-3-yl)-5-(1,5-dimethyl-4-nitro-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine CAS Name: 5-(1,5-dimethyl-4-nitro-3-pyrazolyl)-N-[1-(phenylmethyl)-3-pyrazolyl]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(1-benzylpyrazol-3-yl)-5-(1,5-dimethyl-4-nitropyrazol-3-yl)-1,3,4-thiadiazol-2-amine Traditional Name: (1-benzylpyrazol-3-yl)-[5-(1,5-dimethyl-4-nitro-pyrazol-3-yl)-1,3,4-thiadiazol-2-yl]amine Formula: C17H16N8O2S MolecularWeight: 396.42634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C2=NN=C(S2)NC3=NN(C=C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C2=NN=C(S2)NC3=NN(C=C3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H16N8O2S/c1-11-15(25(26)27)14(22-23(11)2)16-19-20-17(28-16)18-13-8-9-24(21-13)10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,18,20,21)