(2S)-N-(3-ethanoylphenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide

Systemtic Name: (2S)-N-(3-ethanoylphenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide Openeye Name: (2S)-N-(3-acetylphenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide CAS Name: (2S)-N-(3-acetylphenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)thio]butanamide IUPAC Name: (2S)-N-(3-acetylphenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide Traditional Name: (2S)-N-(3-acetylphenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)thio]butyramide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)C)SC2=NC=C(N=N2)C3=CC=CC=C3

Isomeric SMILES

CC[C@@H](C(=O)NC1=CC=CC(=C1)C(=O)C)SC2=NC=C(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O2S/c1-3-19(20(27)23-17-11-7-10-16(12-17)14(2)26)28-21-22-13-18(24-25-21)15-8-5-4-6-9-15/h4-13,19H,3H2,1-2H3,(H,23,27)/t19-/m0/s1