2-[4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-(1-methyltetrazol-5-yl)sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[(1-methyl-5-tetrazolyl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(1-methyltetrazol-5-yl)sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[(1-methyltetrazol-5-yl)thio]butyl]isoindoline-1,3-quinone Formula: C14H15N5O2S MolecularWeight: 317.3662

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CN1C(=NN=N1)SCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C14H15N5O2S/c1-18-14(15-16-17-18)22-9-5-4-8-19-12(20)10-6-2-3-7-11(10)13(19)21/h2-3,6-7H,4-5,8-9H2,1H3