S-[6-[4-[(2,4-dinitrophenyl)amino]phenyl]-3-phenyl-pyrazin-2-yl] ethanethioate

Systemtic Name: S-[6-[4-[(2,4-dinitrophenyl)amino]phenyl]-3-phenyl-pyrazin-2-yl] ethanethioate Openeye Name: S-[6-[4-(2,4-dinitroanilino)phenyl]-3-phenyl-pyrazin-2-yl] ethanethioate CAS Name: ethanethioic acid S-[6-[4-(2,4-dinitroanilino)phenyl]-3-phenyl-2-pyrazinyl] ester IUPAC Name: S-[6-[4-(2,4-dinitroanilino)phenyl]-3-phenylpyrazin-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[6-[4-(2,4-dinitroanilino)phenyl]-3-phenyl-pyrazin-2-yl] ester Formula: C24H17N5O5S MolecularWeight: 487.48728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=NC(=CN=C1C2=CC=CC=C2)C3=CC=C(C=C3)NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC1=NC(=CN=C1C2=CC=CC=C2)C3=CC=C(C=C3)NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H17N5O5S/c1-15(30)35-24-23(17-5-3-2-4-6-17)25-14-21(27-24)16-7-9-18(10-8-16)26-20-12-11-19(28(31)32)13-22(20)29(33)34/h2-14,26H,1H3