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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[[5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea Openeye Name: 1-(3,4-dimethylphenyl)-3-[[5-(m-tolylmethylsulfanyl)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea CAS Name: 1-(3,4-dimethylphenyl)-3-[[5-[(3-methylphenyl)methylthio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[[5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea Traditional Name: 1-(3,4-dimethylphenyl)-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:

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])CNC(=O)NC4=CC(=C(C=C4)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])CNC(=O)NC4=CC(=C(C=C4)C)C

InChI

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