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

Systemtic Name: 4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-1-(phenylmethyl)-3-sulfanylidene-2H-pyrrole-5-carbonitrile Openeye Name: 1-benzyl-4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-3-thioxo-2H-pyrrole-5-carbonitrile CAS Name: 4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]-1-(phenylmethyl)-3-sulfanylidene-2H-pyrrole-5-carbonitrile IUPAC Name: 1-benzyl-4-(3,5-ditert-butyl-4-hydroxybenzoyl)-3-sulfanylidene-2H-pyrrole-5-carbonitrile Traditional Name: 1-benzyl-3-(3,5-ditert-butyl-4-hydroxy-benzoyl)-4-thioxo-2-pyrroline-2-carbonitrile Formula: C27H30N2O2S MolecularWeight: 446.6043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C2=C(N(CC2=S)CC3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C2=C(N(CC2=S)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C27H30N2O2S/c1-26(2,3)19-12-18(13-20(25(19)31)27(4,5)6)24(30)23-21(14-28)29(16-22(23)32)15-17-10-8-7-9-11-17/h7-13,31H,15-16H2,1-6H3