N-(5-heptan-3-yl-1,3,4-thiadiazol-2-yl)-3-(3-nitropyrazol-1-yl)propanamide

Systemtic Name: N-(5-heptan-3-yl-1,3,4-thiadiazol-2-yl)-3-(3-nitropyrazol-1-yl)propanamide Openeye Name: N-[5-(1-ethylpentyl)-1,3,4-thiadiazol-2-yl]-3-(3-nitropyrazol-1-yl)propanamide CAS Name: N-(5-heptan-3-yl-1,3,4-thiadiazol-2-yl)-3-(3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(5-heptan-3-yl-1,3,4-thiadiazol-2-yl)-3-(3-nitropyrazol-1-yl)propanamide Traditional Name: N-[5-(1-ethylpentyl)-1,3,4-thiadiazol-2-yl]-3-(3-nitropyrazol-1-yl)propionamide Formula: C15H22N6O3S MolecularWeight: 366.43858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=NN=C(S1)NC(=O)CCN2C=CC(=N2)[N+](=O)[O-]

Isomeric SMILES

CCCCC(CC)C1=NN=C(S1)NC(=O)CCN2C=CC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C15H22N6O3S/c1-3-5-6-11(4-2)14-17-18-15(25-14)16-13(22)8-10-20-9-7-12(19-20)21(23)24/h7,9,11H,3-6,8,10H2,1-2H3,(H,16,18,22)