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

Systemtic Name: 2-chloranyl-4-nitro-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 2-chloro-N-[5-(4-isopropylphenyl)-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide CAS Name: 2-chloro-4-nitro-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 2-chloro-4-nitro-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 2-chloro-4-nitro-N-(5-p-cumenyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C18H15ClN4O3S MolecularWeight: 402.8547

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN4O3S/c1-10(2)11-3-5-12(6-4-11)17-21-22-18(27-17)20-16(24)14-8-7-13(23(25)26)9-15(14)19/h3-10H,1-2H3,(H,20,22,24)