N-(4-phenylbutan-2-yl)-2-[(5-phenyl-1,2,4-triazin-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-phenylbutan-2-yl)-2-[(5-phenyl-1,2,4-triazin-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-methyl-3-phenyl-propyl)-2-[(5-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide CAS Name: N-(4-phenylbutan-2-yl)-2-[(5-phenyl-1,2,4-triazin-3-yl)thio]acetamide IUPAC Name: N-(4-phenylbutan-2-yl)-2-[(5-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide Traditional Name: N-(1-methyl-3-phenyl-propyl)-2-[(5-phenyl-1,2,4-triazin-3-yl)thio]acetamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CSC2=NC(=CN=N2)C3=CC=CC=C3

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)CSC2=NC(=CN=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4OS/c1-16(12-13-17-8-4-2-5-9-17)23-20(26)15-27-21-24-19(14-22-25-21)18-10-6-3-7-11-18/h2-11,14,16H,12-13,15H2,1H3,(H,23,26)