2-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[1-(2-methoxy-5-methylphenyl)-5-tetrazolyl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]thio]methyl]isoindoline-1,3-quinone Formula: C18H15N5O3S MolecularWeight: 381.4084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H15N5O3S/c1-11-7-8-15(26-2)14(9-11)23-18(19-20-21-23)27-10-22-16(24)12-5-3-4-6-13(12)17(22)25/h3-9H,10H2,1-2H3