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

Systemtic Name: 2-[4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]butyl]isoindoline-1,3-quinone Formula: C18H16N4O2S2 MolecularWeight: 384.47524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C18H16N4O2S2/c23-16-12-6-1-2-7-13(12)17(24)22(16)9-3-4-10-26-18-19-15(20-21-18)14-8-5-11-25-14/h1-2,5-8,11H,3-4,9-10H2,(H,19,20,21)