3-methyl-2-nitro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 3-methyl-2-nitro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitro-benzamide CAS Name: 3-methyl-2-nitro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 3-methyl-2-nitro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitro-benzamide Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O3S/c1-4-10(5-2)14-17-18-15(23-14)16-13(20)11-8-6-7-9(3)12(11)19(21)22/h6-8,10H,4-5H2,1-3H3,(H,16,18,20)