3-(2-methylfuran-3-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(2-methylfuran-3-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(2-methyl-3-furyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(2-methyl-3-furanyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(2-methylfuran-3-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(2-methyl-3-furyl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C14H13N5O3S MolecularWeight: 331.34972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2N)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2N)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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