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

Systemtic Name: 4-methyl-3-(2-methylfuran-3-yl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole Openeye Name: 4-methyl-3-(2-methyl-3-furyl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole CAS Name: 4-methyl-3-(2-methyl-3-furanyl)-5-[1-(3-nitrophenyl)ethylthio]-1,2,4-triazole IUPAC Name: 4-methyl-3-(2-methylfuran-3-yl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole Traditional Name: 4-methyl-3-(2-methyl-3-furyl)-5-[1-(3-nitrophenyl)ethylthio]-1,2,4-triazole Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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