1-naphthalen-1-yl-3-[[4-(4-nitrophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]urea

Systemtic Name: 1-naphthalen-1-yl-3-[[4-(4-nitrophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]urea Openeye Name: 1-[[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-3-(1-naphthyl)urea CAS Name: 1-(1-naphthalenyl)-3-[[4-(4-nitrophenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]urea IUPAC Name: 1-[[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-3-naphthalen-1-ylurea Traditional Name: 1-[[5-(benzylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-3-(1-naphthyl)urea Formula: C27H22N6O3S MolecularWeight: 510.56698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])CNC(=O)NC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])CNC(=O)NC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H22N6O3S/c34-26(29-24-12-6-10-20-9-4-5-11-23(20)24)28-17-25-30-31-27(37-18-19-7-2-1-3-8-19)32(25)21-13-15-22(16-14-21)33(35)36/h1-16H,17-18H2,(H2,28,29,34)