2-[2-(4,4a,5,6-tetrahydronaphthalen-1-ylsulfanylmethyl)phenyl]-1,3-diazinane

Systemtic Name: 2-[2-(4,4a,5,6-tetrahydronaphthalen-1-ylsulfanylmethyl)phenyl]-1,3-diazinane Openeye Name: 2-[2-(4,4a,5,6-tetrahydronaphthalen-1-ylsulfanylmethyl)phenyl]hexahydropyrimidine CAS Name: 2-[2-[(4,4a,5,6-tetrahydronaphthalen-1-ylthio)methyl]phenyl]-1,3-diazinane IUPAC Name: 2-[2-(4,4a,5,6-tetrahydronaphthalen-1-ylsulfanylmethyl)phenyl]-1,3-diazinane Traditional Name: 2-[2-[(4,4a,5,6-tetrahydronaphthalen-1-ylthio)methyl]phenyl]hexahydropyrimidine Formula: C21H26N2S MolecularWeight: 338.50954

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(NC1)C2=CC=CC=C2CSC3=C4C=CCCC4CC=C3

Isomeric SMILES

C1CNC(NC1)C2=CC=CC=C2CSC3=C4C=CCCC4CC=C3

InChI

InChI=1S/C21H26N2S/c1-3-10-18-16(7-1)9-5-12-20(18)24-15-17-8-2-4-11-19(17)21-22-13-6-14-23-21/h2-5,8,10-12,16,21-23H,1,6-7,9,13-15H2