2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(propylcarbamoyl)ethanamide

Systemtic Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(propylcarbamoyl)ethanamide Openeye Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide CAS Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-N-[oxo(propylamino)methyl]acetamide IUPAC Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide Traditional Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-N-(propylcarbamoyl)acetamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)CSC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)NC(=O)CSC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N5O2S/c1-2-13-22-20(28)23-17(27)14-29-21-24-18(15-9-5-3-6-10-15)19(25-26-21)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H2,22,23,27,28)