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

Systemtic Name: 3-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-4-phenyl-1,2,4-triazole Openeye Name: 3-methyl-5-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-4-phenyl-1,2,4-triazole CAS Name: 3-methyl-5-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-4-phenyl-1,2,4-triazole Traditional Name: 3-methyl-5-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]-4-phenyl-1,2,4-triazole Formula: C15H12N4O3S MolecularWeight: 328.34578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SC=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)S/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O3S/c1-11-16-17-15(18(11)12-5-3-2-4-6-12)23-10-9-13-7-8-14(22-13)19(20)21/h2-10H,1H3/b10-9+