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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]acetamide Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC(=O)C=C(N3)C4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC(=O)C=C(N3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C21H18N4O2S2/c22-11-15-14-8-4-5-9-17(14)29-20(15)24-19(27)12-28-21-23-16(10-18(26)25-21)13-6-2-1-3-7-13/h1-3,6-7,10H,4-5,8-9,12H2,(H,24,27)(H,23,25,26)