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

Systemtic Name: 1-(4-methylphenyl)-3-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(p-tolyl)urea CAS Name: 1-(4-methylphenyl)-3-[5-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(4-methylphenyl)-3-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-[5-[(4-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-(p-tolyl)urea Formula: C17H15N5O3S2 MolecularWeight: 401.4627

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O3S2/c1-11-2-6-13(7-3-11)18-15(23)19-16-20-21-17(27-16)26-10-12-4-8-14(9-5-12)22(24)25/h2-9H,10H2,1H3,(H2,18,19,20,23)