2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethyl benzoate

Systemtic Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethyl benzoate Openeye Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]ethyl ester IUPAC Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]ethyl ester Formula: C24H19N3O2S MolecularWeight: 413.49156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCCOC(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCCOC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H19N3O2S/c28-23(20-14-8-3-9-15-20)29-16-17-30-24-25-21(18-10-4-1-5-11-18)22(26-27-24)19-12-6-2-7-13-19/h1-15H,16-17H2