2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]isoindoline-1,3-quinone Formula: C18H14N4O2S2 MolecularWeight: 382.45936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NN=C(S2)SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NN=C(S2)SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H14N4O2S2/c23-15-13-8-4-5-9-14(13)16(24)22(15)11-25-18-21-20-17(26-18)19-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)