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

Systemtic Name: 3-methyl-4-nitro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-nitro-benzamide CAS Name: 3-methyl-4-nitro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 3-methyl-4-nitro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-nitro-benzamide Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=NN=C(S2)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=NN=C(S2)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O3S/c1-7(2)12-15-16-13(21-12)14-11(18)9-4-5-10(17(19)20)8(3)6-9/h4-7H,1-3H3,(H,14,16,18)