(2S)-2-ethanimidoyl-4-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-2-ethanimidoyl-4-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-ethanimidoyl-4-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-3-oxo-butanenitrile CAS Name: (2S)-2-(1-iminoethyl)-4-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-3-oxobutanenitrile IUPAC Name: (2S)-2-ethanimidoyl-4-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-3-keto-4-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]butyronitrile Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C17H16N4OS/c1-11-8-15(13-6-4-3-5-7-13)21-17(20-11)23-10-16(22)14(9-18)12(2)19/h3-8,14,19H,10H2,1-2H3/t14-/m1/s1