N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetamide Formula: C16H16N4O2S2 MolecularWeight: 360.45384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C16H16N4O2S2/c1-9-6-13(21)20-16(18-9)23-8-14(22)19-15-11(7-17)10-4-2-3-5-12(10)24-15/h6H,2-5,8H2,1H3,(H,19,22)(H,18,20,21)