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

Systemtic Name: 4-methyl-3-(2-methylfuran-3-yl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-methyl-3-(2-methyl-3-furyl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-methyl-3-(2-methyl-3-furanyl)-5-[(2-methyl-3-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-methyl-3-(2-methylfuran-3-yl)-5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-methyl-3-(2-methyl-3-furyl)-5-[(2-methyl-3-nitro-benzyl)thio]-1,2,4-triazole Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2C)C3=C(OC=C3)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2C)C3=C(OC=C3)C

InChI

InChI=1S/C16H16N4O3S/c1-10-12(5-4-6-14(10)20(21)22)9-24-16-18-17-15(19(16)3)13-7-8-23-11(13)2/h4-8H,9H2,1-3H3