1-(2,3-dimethylphenyl)-3-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]urea

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]urea Openeye Name: 1-(2,3-dimethylphenyl)-3-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]urea CAS Name: 1-(2,3-dimethylphenyl)-3-[1-[5-[(4-fluorophenyl)methylthio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]urea IUPAC Name: 1-(2,3-dimethylphenyl)-3-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]urea Traditional Name: 1-(2,3-dimethylphenyl)-3-[1-[5-[(4-fluorobenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]urea Formula: C26H25FN6O3S MolecularWeight: 520.578503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)NC(C)C2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)NC(C)C2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)F)C

InChI

InChI=1S/C26H25FN6O3S/c1-16-5-4-6-23(17(16)2)29-25(34)28-18(3)24-30-31-26(37-15-19-7-9-20(27)10-8-19)32(24)21-11-13-22(14-12-21)33(35)36/h4-14,18H,15H2,1-3H3,(H2,28,29,34)