2-(3,5-ditert-butylphenyl)-4-ethylsulfanyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium

Systemtic Name: 2-(3,5-ditert-butylphenyl)-4-ethylsulfanyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium Openeye Name: 2-(3,5-ditert-butylphenyl)-4-ethylsulfanyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium CAS Name: 2-(3,5-ditert-butylphenyl)-4-(ethylthio)-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium IUPAC Name: 2-(3,5-ditert-butylphenyl)-4-ethylsulfanyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium Traditional Name: 2-(3,5-ditert-butylphenyl)-4-(ethylthio)-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium Formula: C24H34NOS+ MolecularWeight: 384.59786

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=[O+]C2=C1CCCC2)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCSC1=NC(=[O+]C2=C1CCCC2)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C24H34NOS/c1-8-27-22-19-11-9-10-12-20(19)26-21(25-22)16-13-17(23(2,3)4)15-18(14-16)24(5,6)7/h13-15H,8-12H2,1-7H3/q+1