1-tert-butyl-3-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]urea

Systemtic Name: 1-tert-butyl-3-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-tert-butyl-3-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-tert-butyl-3-[5-[(3-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-tert-butyl-3-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-tert-butyl-3-[5-[(3-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]urea Formula: C14H17N5O3S2 MolecularWeight: 367.44648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O3S2/c1-14(2,3)16-11(20)15-12-17-18-13(24-12)23-8-9-5-4-6-10(7-9)19(21)22/h4-7H,8H2,1-3H3,(H2,15,16,17,20)