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

Systemtic Name: 1-(4-methylphenyl)-3-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-3-(p-tolyl)urea CAS Name: 1-(4-methylphenyl)-3-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(4-methylphenyl)-3-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-3-(p-tolyl)urea Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O3S/c1-10-2-6-12(7-3-10)17-15(22)18-16-20-19-14(25-16)11-4-8-13(9-5-11)21(23)24/h2-9H,1H3,(H2,17,18,20,22)