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

Systemtic Name: 1-[1-[5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-3-naphthalen-1-yl-urea Openeye Name: 1-[1-[5-(m-tolylmethylsulfanyl)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-3-(1-naphthyl)urea CAS Name: 1-[1-[5-[(3-methylphenyl)methylthio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]-3-(1-naphthalenyl)urea IUPAC Name: 1-[1-[5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]-3-naphthalen-1-ylurea Traditional Name: 1-[1-[5-[(3-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-3-(1-naphthyl)urea Formula: C35H30N6O3S MolecularWeight: 614.7161

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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(CC4=CC=CC=C4)NC(=O)NC5=CC=CC6=CC=CC=C65

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])C(CC4=CC=CC=C4)NC(=O)NC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C35H30N6O3S/c1-24-9-7-12-26(21-24)23-45-35-39-38-33(40(35)28-17-19-29(20-18-28)41(43)44)32(22-25-10-3-2-4-11-25)37-34(42)36-31-16-8-14-27-13-5-6-15-30(27)31/h2-21,32H,22-23H2,1H3,(H2,36,37,42)