1-[4,6-bis(methylsulfanyl)pyrimidin-5-yl]-3-nonyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide

Systemtic Name: 1-[4,6-bis(methylsulfanyl)pyrimidin-5-yl]-3-nonyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide Openeye Name: 1-[4,6-bis(methylsulfanyl)pyrimidin-5-yl]-3-nonyl-tetralin-2-carboxamide CAS Name: 1-[4,6-bis(methylthio)-5-pyrimidinyl]-3-nonyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide IUPAC Name: 1-[4,6-bis(methylsulfanyl)pyrimidin-5-yl]-3-nonyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide Traditional Name: 1-[4,6-bis(methylthio)pyrimidin-5-yl]-3-nonyl-tetralin-2-carboxamide Formula: C26H37N3OS2 MolecularWeight: 471.72148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CC2=CC=CC=C2C(C1C(=O)N)C3=C(N=CN=C3SC)SC

Isomeric SMILES

CCCCCCCCCC1CC2=CC=CC=C2C(C1C(=O)N)C3=C(N=CN=C3SC)SC

InChI

InChI=1S/C26H37N3OS2/c1-4-5-6-7-8-9-10-14-19-16-18-13-11-12-15-20(18)22(21(19)24(27)30)23-25(31-2)28-17-29-26(23)32-3/h11-13,15,17,19,21-22H,4-10,14,16H2,1-3H3,(H2,27,30)