4-[2-[(2-tert-butylsulfanylphenyl)methyl]-1,2-diazinan-1-yl]naphthalene-1-carbonitrile

Systemtic Name: 4-[2-[(2-tert-butylsulfanylphenyl)methyl]-1,2-diazinan-1-yl]naphthalene-1-carbonitrile Openeye Name: 4-[2-[(2-tert-butylsulfanylphenyl)methyl]hexahydropyridazin-1-yl]naphthalene-1-carbonitrile CAS Name: 4-[2-[[2-(tert-butylthio)phenyl]methyl]-1-diazinanyl]-1-naphthalenecarbonitrile IUPAC Name: 4-[2-[(2-tert-butylsulfanylphenyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile Traditional Name: 4-[2-[2-(tert-butylthio)benzyl]hexahydropyridazin-1-yl]naphthalene-1-carbonitrile Formula: C26H29N3S MolecularWeight: 415.59356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=CC=C1CN2CCCCN2C3=CC=C(C4=CC=CC=C43)C#N

Isomeric SMILES

CC(C)(C)SC1=CC=CC=C1CN2CCCCN2C3=CC=C(C4=CC=CC=C43)C#N

InChI

InChI=1S/C26H29N3S/c1-26(2,3)30-25-13-7-4-10-21(25)19-28-16-8-9-17-29(28)24-15-14-20(18-27)22-11-5-6-12-23(22)24/h4-7,10-15H,8-9,16-17,19H2,1-3H3