4-methyl-3-(4-methylphenyl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,2,4-triazole

Systemtic Name: 4-methyl-3-(4-methylphenyl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,2,4-triazole Openeye Name: 4-methyl-3-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-5-(p-tolyl)-1,2,4-triazole CAS Name: 4-methyl-3-(4-methylphenyl)-5-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-1,2,4-triazole IUPAC Name: 4-methyl-3-(4-methylphenyl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,2,4-triazole Traditional Name: 4-methyl-3-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]-5-(p-tolyl)-1,2,4-triazole Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C)SC=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)S/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O3S/c1-11-3-5-12(6-4-11)15-17-18-16(19(15)2)24-10-9-13-7-8-14(23-13)20(21)22/h3-10H,1-2H3/b10-9+