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

Systemtic Name: 3-(4-methylphenyl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,2,4-triazol-4-amine Openeye Name: 3-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-5-(p-tolyl)-1,2,4-triazol-4-amine CAS Name: 3-(4-methylphenyl)-5-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-1,2,4-triazol-4-amine IUPAC Name: 3-(4-methylphenyl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,2,4-triazol-4-amine Traditional Name: [3-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]-5-(p-tolyl)-1,2,4-triazol-4-yl]amine Formula: C15H13N5O3S MolecularWeight: 343.36042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SC=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)S/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O3S/c1-10-2-4-11(5-3-10)14-17-18-15(19(14)16)24-9-8-12-6-7-13(23-12)20(21)22/h2-9H,16H2,1H3/b9-8+