3-(furan-2-yl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(furan-2-yl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(2-furyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(2-furanyl)-5-[2-(3-nitrophenoxy)ethylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(furan-2-yl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(2-furyl)-5-[2-(3-nitrophenoxy)ethylthio]-1,2,4-triazol-4-yl]amine Formula: C14H13N5O4S MolecularWeight: 347.34912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCSC2=NN=C(N2N)C3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OCCSC2=NN=C(N2N)C3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O4S/c15-18-13(12-5-2-6-23-12)16-17-14(18)24-8-7-22-11-4-1-3-10(9-11)19(20)21/h1-6,9H,7-8,15H2