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

Systemtic Name: 1-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-3-(4-methylphenyl)urea Openeye Name: 1-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-3-(p-tolyl)urea CAS Name: 1-[[5-[(4-fluorophenyl)methylthio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-3-(4-methylphenyl)urea IUPAC Name: 1-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-3-(4-methylphenyl)urea Traditional Name: 1-[[5-[(4-fluorobenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-3-(p-tolyl)urea Formula: C24H21FN6O3S MolecularWeight: 492.525343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NCC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NCC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)F

InChI

InChI=1S/C24H21FN6O3S/c1-16-2-8-19(9-3-16)27-23(32)26-14-22-28-29-24(35-15-17-4-6-18(25)7-5-17)30(22)20-10-12-21(13-11-20)31(33)34/h2-13H,14-15H2,1H3,(H2,26,27,32)