N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-(4-nitropyrazol-1-yl)butanamide CAS Name: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-(4-nitropyrazol-1-yl)butanamide Traditional Name: 4-(4-nitropyrazol-1-yl)-N-(5-p-anisyl-1,3,4-thiadiazol-2-yl)butyramide Formula: C17H18N6O4S MolecularWeight: 402.42762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CCCN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CCCN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O4S/c1-27-14-6-4-12(5-7-14)9-16-20-21-17(28-16)19-15(24)3-2-8-22-11-13(10-18-22)23(25)26/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,21,24)