ethyl 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]furan-3-carboxylate

Systemtic Name: ethyl 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]furan-3-carboxylate Openeye Name: ethyl 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]furan-3-carboxylate CAS Name: 2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]furan-3-carboxylic acid ethyl ester Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H19N3O3S/c1-2-28-22(27)18-13-14-29-19(18)15-30-23-24-20(16-9-5-3-6-10-16)21(25-26-23)17-11-7-4-8-12-17/h3-14H,2,15H2,1H3