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

Systemtic Name: 1-(2-methylphenyl)-3-[1-[5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]urea Openeye Name: 1-[1-[5-(m-tolylmethylsulfanyl)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-(o-tolyl)urea CAS Name: 1-(2-methylphenyl)-3-[1-[5-[(3-methylphenyl)methylthio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]urea IUPAC Name: 1-(2-methylphenyl)-3-[1-[5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]urea Traditional Name: 1-[1-[5-[(3-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-(o-tolyl)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-])C(C)NC(=O)NC4=CC=CC=C4C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])C(C)NC(=O)NC4=CC=CC=C4C

InChI

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