2-[4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(5-amino-1H-1,2,4-triazol-3-yl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(5-amino-1H-1,2,4-triazol-3-yl)thio]butyl]isoindoline-1,3-quinone Formula: C14H15N5O2S MolecularWeight: 317.3662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=NNC(=N3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=NNC(=N3)N

InChI

InChI=1S/C14H15N5O2S/c15-13-16-14(18-17-13)22-8-4-3-7-19-11(20)9-5-1-2-6-10(9)12(19)21/h1-2,5-6H,3-4,7-8H2,(H3,15,16,17,18)