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

Systemtic Name: 4-bromanyl-3-nitro-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-bromo-N-[5-(4-isopropylphenyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: 4-bromo-3-nitro-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-bromo-3-nitro-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-bromo-3-nitro-N-(5-p-cumenyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C18H15BrN4O3S MolecularWeight: 447.3057

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H15BrN4O3S/c1-10(2)11-3-5-12(6-4-11)17-21-22-18(27-17)20-16(24)13-7-8-14(19)15(9-13)23(25)26/h3-10H,1-2H3,(H,20,22,24)