2-[(1-oxidanylidene-2-phenyl-5,6,7,8-tetrahydropentaleno[2,1-d]pyrimidin-3-yl)sulfanyl]ethanamide

Systemtic Name: 2-[(1-oxidanylidene-2-phenyl-5,6,7,8-tetrahydropentaleno[2,1-d]pyrimidin-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(1-oxo-2-phenyl-5,6,7,8-tetrahydropentaleno[2,1-d]pyrimidin-3-yl)sulfanyl]acetamide CAS Name: 2-[(1-oxo-2-phenyl-5,6,7,8-tetrahydropentaleno[2,1-d]pyrimidin-3-yl)thio]acetamide IUPAC Name: 2-[(1-oxo-2-phenyl-5,6,7,8-tetrahydropentaleno[2,1-d]pyrimidin-3-yl)sulfanyl]acetamide Traditional Name: 2-[(1-keto-2-phenyl-5,6,7,8-tetrahydropentaleno[2,1-d]pyrimidin-3-yl)thio]acetamide Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C3=C(C2)N=C(N(C3=O)C4=CC=CC=C4)SCC(=O)N

Isomeric SMILES

C1CC2=C(C1)C3=C(C2)N=C(N(C3=O)C4=CC=CC=C4)SCC(=O)N

InChI

InChI=1S/C18H17N3O2S/c19-15(22)10-24-18-20-14-9-11-5-4-8-13(11)16(14)17(23)21(18)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-10H2,(H2,19,22)