4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-1-(phenylmethyl)-3-sulfanylidene-2H-pyrrole-5-carbonitrile

Systemtic Name: 4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-1-(phenylmethyl)-3-sulfanylidene-2H-pyrrole-5-carbonitrile Openeye Name: 1-benzyl-4-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-3-thioxo-2H-pyrrole-5-carbonitrile CAS Name: 4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1-(phenylmethyl)-3-sulfanylidene-2H-pyrrole-5-carbonitrile IUPAC Name: 1-benzyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-sulfanylidene-2H-pyrrole-5-carbonitrile Traditional Name: 1-benzyl-3-(3,5-ditert-butyl-4-hydroxy-benzyl)-4-thioxo-2-pyrroline-2-carbonitrile Formula: C27H32N2OS MolecularWeight: 432.62078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=C(N(CC2=S)CC3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=C(N(CC2=S)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C27H32N2OS/c1-26(2,3)21-13-19(14-22(25(21)30)27(4,5)6)12-20-23(15-28)29(17-24(20)31)16-18-10-8-7-9-11-18/h7-11,13-14,30H,12,16-17H2,1-6H3