3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-methyl-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-methyl-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-methyl-1,2,4-triazole CAS Name: 3-[(2-methoxy-5-nitrophenyl)methylthio]-5-methyl-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-5-methyl-1,2,4-triazole Traditional Name: 4-benzyl-3-[(2-methoxy-5-nitro-benzyl)thio]-5-methyl-1,2,4-triazole Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H18N4O3S/c1-13-19-20-18(21(13)11-14-6-4-3-5-7-14)26-12-15-10-16(22(23)24)8-9-17(15)25-2/h3-10H,11-12H2,1-2H3