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

Systemtic Name: ethyl 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-2-methyl-propanoate Openeye Name: ethyl 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-2-methyl-propanoate CAS Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-2-methylpropanoate Traditional Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-2-methyl-propionic acid ethyl ester Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)SC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C)(C)SC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S/c1-4-26-19(25)21(2,3)27-20-22-17(15-11-7-5-8-12-15)18(23-24-20)16-13-9-6-10-14-16/h5-14H,4H2,1-3H3