N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(4-nitrophenyl)pyrazole-4-carboxamide

Systemtic Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(4-nitrophenyl)pyrazole-4-carboxamide Openeye Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(4-nitrophenyl)pyrazole-4-carboxamide CAS Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(4-nitrophenyl)-4-pyrazolecarboxamide IUPAC Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(4-nitrophenyl)pyrazole-4-carboxamide Traditional Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(4-nitrophenyl)pyrazole-4-carboxamide Formula: C16H16N6O3S MolecularWeight: 372.40164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)C2=CN(N=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)C2=CN(N=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N6O3S/c1-2-3-4-14-19-20-16(26-14)18-15(23)11-9-17-21(10-11)12-5-7-13(8-6-12)22(24)25/h5-10H,2-4H2,1H3,(H,18,20,23)