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

Systemtic Name: 3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-4-phenyl-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-5-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-4-phenyl-1,2,4-triazole CAS Name: 3-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-4-phenyl-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-4-phenyl-1,2,4-triazole Traditional Name: 3-benzyl-5-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]-4-phenyl-1,2,4-triazole Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SC=CC4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)S/C=C/C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O3S/c26-25(27)20-12-11-18(28-20)13-14-29-21-23-22-19(15-16-7-3-1-4-8-16)24(21)17-9-5-2-6-10-17/h1-14H,15H2/b14-13+