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

Systemtic Name: 1-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)urea CAS Name: 1-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)urea Traditional Name: 1-[[5-(benzylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-3-(3,4-dimethylphenyl)urea Formula: C25H24N6O3S MolecularWeight: 488.56146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NCC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NCC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=CC=C4)C

InChI

InChI=1S/C25H24N6O3S/c1-17-8-9-20(14-18(17)2)27-24(32)26-15-23-28-29-25(35-16-19-6-4-3-5-7-19)30(23)21-10-12-22(13-11-21)31(33)34/h3-14H,15-16H2,1-2H3,(H2,26,27,32)