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

Systemtic Name: 1-(4-nitrophenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(4-nitrophenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-(4-nitrophenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(4-nitrophenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-(4-nitrophenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea Formula: C16H13N5O4S MolecularWeight: 371.37052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O4S/c22-15(17-11-6-8-12(9-7-11)21(23)24)18-16-20-19-14(26-16)10-25-13-4-2-1-3-5-13/h1-9H,10H2,(H2,17,18,20,22)