N-[5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide

Systemtic Name: N-[5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide CAS Name: N-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide IUPAC Name: N-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[5-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C(C)(C)C

InChI

InChI=1S/C22H24N4O3S2/c1-13-10-16(22(3,4)5)11-14(2)18(13)12-30-21-25-24-20(31-21)23-19(27)15-6-8-17(9-7-15)26(28)29/h6-11H,12H2,1-5H3,(H,23,24,27)