2,6-ditert-butyl-4-[4-[(4-methylphenyl)sulfanylmethyl]-3H-1,3-oxazol-2-ylidene]cyclohexa-2,5-dien-1-one; hexan-1-amine

Systemtic Name: 2,6-ditert-butyl-4-[4-[(4-methylphenyl)sulfanylmethyl]-3H-1,3-oxazol-2-ylidene]cyclohexa-2,5-dien-1-one; hexan-1-amine Openeye Name: 2,6-ditert-butyl-4-[4-(p-tolylsulfanylmethyl)-3H-oxazol-2-ylidene]cyclohexa-2,5-dien-1-one; hexan-1-amine CAS Name: 2,6-ditert-butyl-4-[4-[[(4-methylphenyl)thio]methyl]-3H-oxazol-2-ylidene]-1-cyclohexa-2,5-dienone; 1-hexanamine IUPAC Name: 2,6-ditert-butyl-4-[4-[(4-methylphenyl)sulfanylmethyl]-3H-1,3-oxazol-2-ylidene]cyclohexa-2,5-dien-1-one; hexan-1-amine Traditional Name: 2,6-ditert-butyl-4-[4-[(p-tolylthio)methyl]-4-oxazolin-2-ylidene]cyclohexa-2,5-dien-1-one; hexylamine Formula: C31H46N2O2S MolecularWeight: 510.77414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN.CC1=CC=C(C=C1)SCC2=COC(=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)N2

Isomeric SMILES

CCCCCCN.CC1=CC=C(C=C1)SCC2=COC(=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)N2

InChI

InChI=1S/C25H31NO2S.C6H15N/c1-16-8-10-19(11-9-16)29-15-18-14-28-23(26-18)17-12-20(24(2,3)4)22(27)21(13-17)25(5,6)7;1-2-3-4-5-6-7/h8-14,26H,15H2,1-7H3;2-7H2,1H3