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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SC=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)S/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O3S/c1-12-17-18-16(19(12)11-13-5-3-2-4-6-13)24-10-9-14-7-8-15(23-14)20(21)22/h2-10H,11H2,1H3/b10-9+