2-[3-methyl-4-oxidanyl-5-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]isoindole-1,3-dione

Systemtic Name: 2-[3-methyl-4-oxidanyl-5-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]isoindole-1,3-dione Openeye Name: 2-[4-hydroxy-3-methyl-5-(5-thioxo-2H-tetrazol-1-yl)phenyl]isoindoline-1,3-dione CAS Name: 2-[4-hydroxy-3-methyl-5-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]isoindole-1,3-dione IUPAC Name: 2-[4-hydroxy-3-methyl-5-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]isoindole-1,3-dione Traditional Name: 2-[4-hydroxy-3-methyl-5-(5-thioxo-2H-tetrazol-1-yl)phenyl]isoindoline-1,3-quinone Formula: C16H11N5O3S MolecularWeight: 353.35524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)N2C(=S)N=NN2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=CC(=C1O)N2C(=S)N=NN2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C16H11N5O3S/c1-8-6-9(7-12(13(8)22)21-16(25)17-18-19-21)20-14(23)10-4-2-3-5-11(10)15(20)24/h2-7,22H,1H3,(H,17,19,25)