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

Systemtic Name: 1-(4-tert-butylphenyl)-3-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(4-tert-butylphenyl)-3-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-(4-tert-butylphenyl)-3-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(4-tert-butylphenyl)-3-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-(4-tert-butylphenyl)-3-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O3S/c1-19(2,3)13-7-9-14(10-8-13)20-17(25)21-18-23-22-16(28-18)12-5-4-6-15(11-12)24(26)27/h4-11H,1-3H3,(H2,20,21,23,25)