4-(4-nitropyrazol-1-yl)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)butanamide

Systemtic Name: 4-(4-nitropyrazol-1-yl)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)butanamide Openeye Name: 4-(4-nitropyrazol-1-yl)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)butanamide CAS Name: 4-(4-nitro-1-pyrazolyl)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)butanamide IUPAC Name: 4-(4-nitropyrazol-1-yl)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)butanamide Traditional Name: 4-(4-nitropyrazol-1-yl)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)butyramide Formula: C17H18N6O3S MolecularWeight: 386.42822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NN=C(S2)NC(=O)CCCN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NN=C(S2)NC(=O)CCCN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O3S/c24-15(7-4-10-22-12-14(11-18-22)23(25)26)19-17-21-20-16(27-17)9-8-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10H2,(H,19,21,24)