3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(2-methyl-3-nitrophenyl)methylthio]-4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(2-methyl-3-nitrophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(2-methyl-3-nitro-benzyl)thio]-4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazole Formula: C19H20N4O3S2 MolecularWeight: 416.5171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2CC3CCCO3)C4=CC=CS4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2CC3CCCO3)C4=CC=CS4

InChI

InChI=1S/C19H20N4O3S2/c1-13-14(5-2-7-16(13)23(24)25)12-28-19-21-20-18(17-8-4-10-27-17)22(19)11-15-6-3-9-26-15/h2,4-5,7-8,10,15H,3,6,9,11-12H2,1H3