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

Systemtic Name: 3-(furan-2-yl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(2-furyl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(2-furanyl)-5-[1-(3-nitrophenyl)ethylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(furan-2-yl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(2-furyl)-5-[1-(3-nitrophenyl)ethylthio]-1,2,4-triazol-4-yl]amine Formula: C14H13N5O3S MolecularWeight: 331.34972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2N)C3=CC=CO3

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2N)C3=CC=CO3

InChI

InChI=1S/C14H13N5O3S/c1-9(10-4-2-5-11(8-10)19(20)21)23-14-17-16-13(18(14)15)12-6-3-7-22-12/h2-9H,15H2,1H3