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

Systemtic Name: 3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-benzyl-3-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-benzyl-3-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]-5-(2-thienyl)-1,2,4-triazole Formula: C19H14N4O3S2 MolecularWeight: 410.46946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SC=CC3=CC=C(O3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2S/C=C/C3=CC=C(O3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C19H14N4O3S2/c24-23(25)17-9-8-15(26-17)10-12-28-19-21-20-18(16-7-4-11-27-16)22(19)13-14-5-2-1-3-6-14/h1-12H,13H2/b12-10+