3-[6-(4-chlorophenyl)sulfanylhexylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[6-(4-chlorophenyl)sulfanylhexylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[6-(4-chlorophenyl)sulfanylhexylamino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[6-[(4-chlorophenyl)thio]hexylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[6-(4-chlorophenyl)sulfanylhexylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[6-[(4-chlorophenyl)thio]hexylamino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-quinone Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3)Cl

InChI

InChI=1S/C21H22ClN3O2S/c22-15-5-7-17(8-6-15)28-14-4-2-1-3-11-24-18-19(21(27)20(18)26)25-16-9-12-23-13-10-16/h5-10,12-13,24H,1-4,11,14H2,(H,23,25)