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

Systemtic Name: 3-methyl-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-methyl-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-methyl-5-[(2-methyl-3-nitrophenyl)methylthio]-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-methyl-5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-benzyl-3-methyl-5-[(2-methyl-3-nitro-benzyl)thio]-1,2,4-triazole Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2CC3=CC=CC=C3)C

InChI

InChI=1S/C18H18N4O2S/c1-13-16(9-6-10-17(13)22(23)24)12-25-18-20-19-14(2)21(18)11-15-7-4-3-5-8-15/h3-10H,11-12H2,1-2H3