1-(4-ethoxyphenyl)-3-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylamino]pyrrolidine-2,5-dione

Systemtic Name: 1-(4-ethoxyphenyl)-3-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylamino]pyrrolidine-2,5-dione Openeye Name: 1-(4-ethoxyphenyl)-3-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methylamino]pyrrolidine-2,5-dione CAS Name: 1-(4-ethoxyphenyl)-3-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylamino]pyrrolidine-2,5-dione IUPAC Name: 1-(4-ethoxyphenyl)-3-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylamino]pyrrolidine-2,5-dione Traditional Name: 3-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methylamino]-1-p-phenetyl-pyrrolidine-2,5-quinone Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCC3=NNC(=S)N3C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCC3=NNC(=S)N3C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3S/c1-2-29-16-10-8-15(9-11-16)26-19(27)12-17(20(26)28)22-13-18-23-24-21(30)25(18)14-6-4-3-5-7-14/h3-11,17,22H,2,12-13H2,1H3,(H,24,30)