3-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one

Systemtic Name: 3-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Openeye Name: 3-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]tetrahydrofuran-2-one CAS Name: 3-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]-2-oxolanone IUPAC Name: 3-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Traditional Name: 3-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]tetrahydrofuran-2-one Formula: C13H12N4O4S MolecularWeight: 320.32378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2CCOC2=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1SC2CCOC2=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O4S/c1-16-11(8-3-2-4-9(7-8)17(19)20)14-15-13(16)22-10-5-6-21-12(10)18/h2-4,7,10H,5-6H2,1H3