1-(4-tert-butylphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea

Systemtic Name: 1-(4-tert-butylphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(4-tert-butylphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-(4-tert-butylphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(4-tert-butylphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-(4-tert-butylphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4S/c1-20(2,3)13-4-6-14(7-5-13)21-18(26)22-19-24-23-17(30-19)12-29-16-10-8-15(9-11-16)25(27)28/h4-11H,12H2,1-3H3,(H2,21,22,24,26)