potassium 6-nitro-4-phenyl-3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-2-olate

Systemtic Name: potassium 6-nitro-4-phenyl-3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-2-olate Openeye Name: potassium 3-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-nitro-4-phenyl-quinolin-2-olate CAS Name: potassium 6-nitro-4-phenyl-3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-2-quinolinolate IUPAC Name: potassium 6-nitro-4-phenyl-3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-2-olate Traditional Name: potassium 3-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-6-nitro-4-phenyl-quinolin-2-olate Formula: C26H18KN5O3S MolecularWeight: 519.61612

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC2=C(N=C3C=CC(=CC3=C2C4=CC=CC=C4)[N+](=O)[O-])[O-])C5=CC=CC=C5.[K+]

Isomeric SMILES

C=CCN1C(=NN=C1SC2=C(N=C3C=CC(=CC3=C2C4=CC=CC=C4)[N+](=O)[O-])[O-])C5=CC=CC=C5.[K+]

InChI

InChI=1S/C26H19N5O3S.K/c1-2-15-30-24(18-11-7-4-8-12-18)28-29-26(30)35-23-22(17-9-5-3-6-10-17)20-16-19(31(33)34)13-14-21(20)27-25(23)32;/h2-14,16H,1,15H2,(H,27,32);/q;+1/p-1