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

Systemtic Name: 4-tert-butyl-N-[5-(2-cyano-4-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[5-(2-cyano-4-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-tert-butyl-N-[5-[(2-cyano-4-nitrophenyl)thio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[5-(2-cyano-4-nitrophenyl)sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[5-[(2-cyano-4-nitro-phenyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C20H17N5O3S2 MolecularWeight: 439.51068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H17N5O3S2/c1-20(2,3)14-6-4-12(5-7-14)17(26)22-18-23-24-19(30-18)29-16-9-8-15(25(27)28)10-13(16)11-21/h4-10H,1-3H3,(H,22,23,26)