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

Systemtic Name: 1-(4-methoxyphenyl)-3-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(4-methoxyphenyl)-3-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-(4-methoxyphenyl)-3-[5-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(4-methoxyphenyl)-3-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-(4-methoxyphenyl)-3-[5-[(4-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]urea Formula: C17H15N5O4S2 MolecularWeight: 417.4621

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O4S2/c1-26-14-8-4-12(5-9-14)18-15(23)19-16-20-21-17(28-16)27-10-11-2-6-13(7-3-11)22(24)25/h2-9H,10H2,1H3,(H2,18,19,20,23)