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

Systemtic Name: 3-methyl-4-(4-methylphenyl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,2,4-triazole Openeye Name: 3-methyl-5-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-4-(p-tolyl)-1,2,4-triazole CAS Name: 3-methyl-4-(4-methylphenyl)-5-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-1,2,4-triazole IUPAC Name: 3-methyl-4-(4-methylphenyl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,2,4-triazole Traditional Name: 3-methyl-5-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]-4-(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)N2C(=NN=C2SC=CC3=CC=C(O3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2S/C=C/C3=CC=C(O3)[N+](=O)[O-])C

InChI

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