N-(5-heptan-3-yl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-nitro-benzamide

Systemtic Name: N-(5-heptan-3-yl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-nitro-benzamide Openeye Name: N-[5-(1-ethylpentyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-3-nitro-benzamide CAS Name: N-(5-heptan-3-yl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-nitrobenzamide IUPAC Name: N-(5-heptan-3-yl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-nitrobenzamide Traditional Name: N-[5-(1-ethylpentyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-3-nitro-benzamide Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCC(CC)C1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O4S/c1-4-6-7-11(5-2)16-19-20-17(26-16)18-15(22)12-8-9-14(25-3)13(10-12)21(23)24/h8-11H,4-7H2,1-3H3,(H,18,20,22)