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

Systemtic Name: 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)urea Openeye Name: 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)urea CAS Name: 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)urea IUPAC Name: 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)urea Traditional Name: 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)urea Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(S1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NN=C(S1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O3S/c1-13(2,3)10-16-17-12(22-10)15-11(19)14-8-4-6-9(7-5-8)18(20)21/h4-7H,1-3H3,(H2,14,15,17,19)