3,3-dimethyl-N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]butanamide

Systemtic Name: 3,3-dimethyl-N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]butanamide Openeye Name: 3,3-dimethyl-N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]butanamide CAS Name: 3,3-dimethyl-N-[5-[(3-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]butanamide IUPAC Name: 3,3-dimethyl-N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]butanamide Traditional Name: 3,3-dimethyl-N-[5-[(3-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]butyramide Formula: C15H18N4O3S2 MolecularWeight: 366.45842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=NN=C(S1)SCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CC(=O)NC1=NN=C(S1)SCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O3S2/c1-15(2,3)8-12(20)16-13-17-18-14(24-13)23-9-10-5-4-6-11(7-10)19(21)22/h4-7H,8-9H2,1-3H3,(H,16,17,20)