2-ethoxy-6-nitro-9-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acridine

Systemtic Name: 2-ethoxy-6-nitro-9-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acridine Openeye Name: 2-ethoxy-6-nitro-9-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acridine CAS Name: 2-ethoxy-6-nitro-9-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acridine IUPAC Name: 2-ethoxy-6-nitro-9-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acridine Traditional Name: 2-ethoxy-6-nitro-9-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acridine Formula: C28H20N6O3S MolecularWeight: 520.5618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)SC4=NN=C(N4C5=CC=CC=C5)C6=CC=NC=C6

Isomeric SMILES

CCOC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)SC4=NN=C(N4C5=CC=CC=C5)C6=CC=NC=C6

InChI

InChI=1S/C28H20N6O3S/c1-2-37-21-9-11-24-23(17-21)26(22-10-8-20(34(35)36)16-25(22)30-24)38-28-32-31-27(18-12-14-29-15-13-18)33(28)19-6-4-3-5-7-19/h3-17H,2H2,1H3