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

Systemtic Name: 4-methyl-3-(2-methylfuran-3-yl)-5-[(2-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-methyl-3-(2-methyl-3-furyl)-5-[(2-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-methyl-3-(2-methyl-3-furanyl)-5-[(2-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-methyl-3-(2-methylfuran-3-yl)-5-[(2-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-methyl-3-(2-methyl-3-furyl)-5-[(2-nitrobenzyl)thio]-1,2,4-triazole Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C)SCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C)SCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O3S/c1-10-12(7-8-22-10)14-16-17-15(18(14)2)23-9-11-5-3-4-6-13(11)19(20)21/h3-8H,9H2,1-2H3