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

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

CCCCC1=NN=C(S1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O3S/c1-2-3-4-11-16-17-13(22-11)15-12(19)14-9-5-7-10(8-6-9)18(20)21/h5-8H,2-4H2,1H3,(H2,14,15,17,19)