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

Systemtic Name: ethyl 4-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H25N5O3S MolecularWeight: 463.552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H25N5O3S/c1-2-32-24(31)29-15-13-28(14-16-29)20(30)17-33-23-25-21(18-9-5-3-6-10-18)22(26-27-23)19-11-7-4-8-12-19/h3-12H,2,13-17H2,1H3