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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SC=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2S/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O3S/c1-11-4-2-3-5-13(11)18-10-16-17-15(18)23-9-8-12-6-7-14(22-12)19(20)21/h2-10H,1H3/b9-8+