4-tert-butyl-3-nitro-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-tert-butyl-3-nitro-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-tert-butyl-3-nitro-benzamide CAS Name: 4-tert-butyl-3-nitro-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-tert-butyl-3-nitrobenzamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-tert-butyl-3-nitro-benzamide Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3S2/c1-20(2,3)15-10-9-14(11-16(15)24(26)27)17(25)21-18-22-23-19(29-18)28-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,21,22,25)