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

Systemtic Name: 1-(4-nitrophenyl)-3-(5-pentyl-1,3,4-thiadiazol-2-yl)urea Openeye Name: 1-(4-nitrophenyl)-3-(5-pentyl-1,3,4-thiadiazol-2-yl)urea CAS Name: 1-(4-nitrophenyl)-3-(5-pentyl-1,3,4-thiadiazol-2-yl)urea IUPAC Name: 1-(4-nitrophenyl)-3-(5-pentyl-1,3,4-thiadiazol-2-yl)urea Traditional Name: 1-(5-amyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)urea Formula: C14H17N5O3S MolecularWeight: 335.38148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=NN=C(S1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O3S/c1-2-3-4-5-12-17-18-14(23-12)16-13(20)15-10-6-8-11(9-7-10)19(21)22/h6-9H,2-5H2,1H3,(H2,15,16,18,20)