3-(furan-2-yl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(furan-2-yl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(2-furyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(2-furanyl)-5-[(2-methoxy-5-nitrophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(furan-2-yl)-5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(2-furyl)-5-[(2-methoxy-5-nitro-benzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C14H13N5O4S MolecularWeight: 347.34912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2N)C3=CC=CO3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2N)C3=CC=CO3

InChI

InChI=1S/C14H13N5O4S/c1-22-11-5-4-10(19(20)21)7-9(11)8-24-14-17-16-13(18(14)15)12-3-2-6-23-12/h2-7H,8,15H2,1H3