1-(4-methylphenyl)sulfonyl-3-[3-(2-nitrophenyl)sulfanyl-1H-1,2,4-triazol-5-yl]urea

Systemtic Name: 1-(4-methylphenyl)sulfonyl-3-[3-(2-nitrophenyl)sulfanyl-1H-1,2,4-triazol-5-yl]urea Openeye Name: 1-[3-(2-nitrophenyl)sulfanyl-1H-1,2,4-triazol-5-yl]-3-(p-tolylsulfonyl)urea CAS Name: 1-(4-methylphenyl)sulfonyl-3-[3-[(2-nitrophenyl)thio]-1H-1,2,4-triazol-5-yl]urea IUPAC Name: 1-(4-methylphenyl)sulfonyl-3-[3-(2-nitrophenyl)sulfanyl-1H-1,2,4-triazol-5-yl]urea Traditional Name: 1-[3-[(2-nitrophenyl)thio]-1H-1,2,4-triazol-5-yl]-3-tosyl-urea Formula: C16H14N6O5S2 MolecularWeight: 434.44956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NC(=NN2)SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NC(=NN2)SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H14N6O5S2/c1-10-6-8-11(9-7-10)29(26,27)21-15(23)17-14-18-16(20-19-14)28-13-5-3-2-4-12(13)22(24)25/h2-9H,1H3,(H3,17,18,19,20,21,23)