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

Systemtic Name: 4-methyl-3-nitro-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-(4-isopropylphenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide CAS Name: 4-methyl-3-nitro-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-methyl-3-nitro-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-methyl-3-nitro-N-(5-p-cumenyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O3S/c1-11(2)13-6-8-14(9-7-13)18-21-22-19(27-18)20-17(24)15-5-4-12(3)16(10-15)23(25)26/h4-11H,1-3H3,(H,20,22,24)