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

Systemtic Name: 1-(2-ethylphenyl)-3-[[5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea Openeye Name: 1-(2-ethylphenyl)-3-[[5-(m-tolylmethylsulfanyl)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea CAS Name: 1-(2-ethylphenyl)-3-[[5-[(3-methylphenyl)methylthio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea IUPAC Name: 1-(2-ethylphenyl)-3-[[5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea Traditional Name: 1-(2-ethylphenyl)-3-[[5-[(3-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea Formula: C26H26N6O3S MolecularWeight: 502.58804

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)NCC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=CC(=C4)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)NCC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=CC(=C4)C

InChI

InChI=1S/C26H26N6O3S/c1-3-20-9-4-5-10-23(20)28-25(33)27-16-24-29-30-26(36-17-19-8-6-7-18(2)15-19)31(24)21-11-13-22(14-12-21)32(34)35/h4-15H,3,16-17H2,1-2H3,(H2,27,28,33)